Geometry & MOs

Info

ID:	175491
PubChem CID:	75910587
Reduced:	ClON2H21C23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	37.01
Dipole, Da:	2.32
IP(EA), eV:	-9.38(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(CC2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations