Geometry & MOs

Info

ID:	84929
PubChem CID:	49870710
Reduced:	F2O3N9C25H29 (1)
Stoich.:	A2B3C9D25E29 (1)
Weight, g/mol:	481.224453
ΔH_f, kcal/mol:	-78.69
Dipole, Da:	2.34
IP(EA), eV:	-8.77(-1.15)
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-phenylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=NC=CC(=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4C5=C(C(=CC=C5)OC)N=C4C(F)F

DOS

IR

Vibrations