Geometry & MOs

Info

ID:	272682
PubChem CID:	103751458
Reduced:	NSO2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-61.56
Dipole, Da:	3.49
IP(EA), eV:	-8.99(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzamide

Drug info:

PubChemData

Smile

C1CC(C(C1)NC(=O)C2=CC3=CC=CC=C3S2)CO

DOS

IR

Vibrations