Geometry & MOs

Info

ID:	30580
PubChem CID:	841533
Reduced:	NSO3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-99.26
Dipole, Da:	4.56
IP(EA), eV:	-8.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3CCC3

DOS

IR

Vibrations