Geometry & MOs

Info

ID:	287991
PubChem CID:	104305593
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-49.95
Dipole, Da:	3.8
IP(EA), eV:	-8.18(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[4-(hydroxymethyl)phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCC(C1=CC2=C(C=C1)OCC2)NC3=CC=C(C=C3)CO

DOS

IR

Vibrations