Geometry & MOs

Info

ID:

328758

PubChem CID:

126727435

Reduced:

N5H47C66 (1)

Stoich.:

A5B47C66 (1)

Weight, g/mol:

252.136159

ΔHf, kcal/mol:

315.22

Dipole, Da:

2.03

IP(EA), eV:

 -7.92(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(1-hydroxy-2-methylprop-2-enoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one

Drug info:

PubChemData

Smile

C1C=C(C=CC1N(C2=CC=CC=C2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C64)N7C8=C(C9=CC=CC=C97)C(=CC=C8)N(C1=CC=CC=C1)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations