Geometry & MOs

Info

ID:	163369
PubChem CID:	57896950
Reduced:	N7C26H31 (1)
Stoich.:	A7B26C31 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	105.04
Dipole, Da:	3.82
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-amino-3-[(Z)-2-amino-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enimidoyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1CC(CCC1N)NCC2=CC(=CC=C2)/C=C(/C(=N)C3=C(C=CC(=C3)C4=NC=CN=C4)N)\N

DOS

IR

Vibrations