Geometry & MOs

Info

ID:	4366
PubChem CID:	11292
Reduced:	ClN3H18C19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	323.118925
ΔH_f, kcal/mol:	65.32
Dipole, Da:	11.93
IP(EA), eV:	-8.67(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl

DOS

IR

Vibrations