Geometry & MOs

Info

ID:	211652
PubChem CID:	81049157
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-102.84
Dipole, Da:	5.87
IP(EA), eV:	-9.97(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-N-(4-hydroxybutan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC(C)CCO

DOS

IR

Vibrations