Geometry & MOs

Info

ID:	273512
PubChem CID:	103771267
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	231.1293
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	1.68
IP(EA), eV:	-9.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)thiolane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CN=CN1)O

DOS

IR

Vibrations