Geometry & MOs

Info

ID:	142896
PubChem CID:	53110656
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	364.124549
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	6.54
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)NC3CCCCCC3

DOS

IR

Vibrations