Geometry & MOs

Info

ID:	379059
PubChem CID:	134352191
Reduced:	N2C15H17 (1)
Stoich.:	A2B15C17 (1)
Weight, g/mol:	451.202655
ΔH_f, kcal/mol:	48.2
Dipole, Da:	3.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.292903
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(3E)-3-(anilinomethylidene)-4-chloro-5-(phenyliminomethyl)-2,6-dihydropyridin-1-yl]hexanoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C1(C)C)C=CC3=C2C=CC=[N+]3C

DOS

IR

Vibrations