Geometry & MOs

Info

ID:

378063

PubChem CID:

134224132

Reduced:

N3H59C71 (1)

Stoich.:

A3B59C71 (1)

Weight, g/mol:

275.188529

ΔHf, kcal/mol:

238.64

Dipole, Da:

4.91

IP(EA), eV:

 -8.77(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-4-(2-cyclopropylethyl)-N-[[(2R)-oxiran-2-yl]methyl]-N-[[(2S)-oxiran-2-yl]methyl]hexa-1,3,5-trien-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NC=C1)C2=CC=C(C=C2)C3=CC=CC=C3C4=CC(=CC(=C4)C5=CC=CC=C5C6=C(C=C(C=C6)C7=CC=CC=N7)C8=CC=CC=C8)C9=CC=CC=C9C1=CC=C(C=C1)C1=NC=CC(=C1)C(C)(C)C

DOS

IR

Vibrations