Geometry & MOs

Info

ID:	29864
PubChem CID:	837834
Reduced:	NOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-43.74
Dipole, Da:	4.49
IP(EA), eV:	-8.44(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC(=CC=C1)SC

DOS

IR

Vibrations