Geometry & MOs

Info

ID:	433700
PubChem CID:	135173840
Reduced:	N3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	391.273596
ΔH_f, kcal/mol:	42.77
Dipole, Da:	3.93
IP(EA), eV:	-8.39(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-methyl-1-N-(methylideneamino)-3-N-[2-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]anilino]prop-2-enyl]but-3-ene-1,3-diamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CN(C=N2)CCNC

DOS

IR

Vibrations