Geometry & MOs

Info

ID:	84698
PubChem CID:	49869352
Reduced:	F2O2N10C27H34 (1)
Stoich.:	A2B2C10D27E34 (1)
Weight, g/mol:	607.101999
ΔH_f, kcal/mol:	-38.71
Dipole, Da:	8.63
IP(EA), eV:	-8.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-propylimidazole-4-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations