Geometry & MOs

Info

ID:	296150
PubChem CID:	117558130
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	2.99
IP(EA), eV:	-8.81(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)CO

DOS

IR

Vibrations