Geometry & MOs

Info

ID:	420822
PubChem CID:	135114890
Reduced:	ClN2O3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	-130.39
Dipole, Da:	6.04
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1OC)Cl)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations