Geometry & MOs

Info

ID:	53750
PubChem CID:	14717855
Reduced:	ClN2C26H29 (1)
Stoich.:	AB2C26D29 (1)
Weight, g/mol:	440.178604
ΔH_f, kcal/mol:	69.02
Dipole, Da:	1.79
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(E)-[2-(2-chlorophenyl)-4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]-2-methylphenyl]methyl]ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CCNCC1=C(C=C(C=C1)/C=C/2\C=CC(=NCC)C(=C2C3=CC=CC=C3Cl)C)C

DOS

IR

Vibrations