Geometry & MOs

Info

ID:	6534
PubChem CID:	68824
Reduced:	N2Cl3H13C18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	362.014432
ΔH_f, kcal/mol:	69.04
Dipole, Da:	4.57
IP(EA), eV:	-9.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enyl]imidazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=CC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3)Cl

DOS

IR

Vibrations