Geometry & MOs

Info

ID:	131042
PubChem CID:	51148665
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	348.12407
ΔH_f, kcal/mol:	-2.46
Dipole, Da:	3.85
IP(EA), eV:	-8.99(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-methoxy-4-propoxy-N-(1-pyridin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)NC(C)C2=CC=NC=C2

DOS

IR

Vibrations