Geometry & MOs

Info

ID:	296148
PubChem CID:	117558062
Reduced:	O2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	10.21
Dipole, Da:	5.19
IP(EA), eV:	-8.62(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-(hydroxymethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)C#N

DOS

IR

Vibrations