Geometry & MOs

Info

ID:

316950

PubChem CID:

126632130

Reduced:

S3N5H57C98 (1)

Stoich.:

A3B5C57D98 (1)

Weight, g/mol:

278.163043

ΔHf, kcal/mol:

464.04

Dipole, Da:

2.55

IP(EA), eV:

 -8.23(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3-(aminomethyl)phenyl]methylamino]oxybutyl prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC6=C(C=C5)N=C(N=C6C7=CC=C(C=C7)N8C9=CC=CC=C9C1=C8C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C=C(C=C3)C1=CC2=C(C=C1)C1=CC=CC=C1S2

DOS

IR

Vibrations