Geometry & MOs

Info

ID:	145911
PubChem CID:	53610929
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-16.12
Dipole, Da:	4.49
IP(EA), eV:	-8.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-cyanopropoxy)pyridin-2-yl]-2,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)CNC(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations