Geometry & MOs

Info

ID:	27735
PubChem CID:	823337
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	-132.43
Dipole, Da:	4.91
IP(EA), eV:	-9.51(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(pyridin-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=O)N2)O

DOS

IR

Vibrations