Geometry & MOs

Info

ID:	418865
PubChem CID:	135106976
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	34.94
Dipole, Da:	6.55
IP(EA), eV:	-8.82(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=NN=C(O4)C5=CN=CC=C5

DOS

IR

Vibrations