Geometry & MOs

Info

ID:	84734
PubChem CID:	49869493
Reduced:	N3O3H23C25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	549.211837
ΔH_f, kcal/mol:	-45.17
Dipole, Da:	5.49
IP(EA), eV:	-8.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C3=C1C=C(C=C3)N4C=CC(=CC4=O)OCC5=CC=CC=C5)C(=O)NCCC2

DOS

IR

Vibrations