Geometry & MOs

Info

ID:	49986
PubChem CID:	11538608
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	-32.74
Dipole, Da:	4.72
IP(EA), eV:	-8.57(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-4-[3-cyano-5-[(2-methoxyethylamino)methyl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

DOS

IR

Vibrations