Geometry & MOs

Info

ID:	162233
PubChem CID:	57394014
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	367.064303
ΔH_f, kcal/mol:	18.2
Dipole, Da:	7.08
IP(EA), eV:	-9.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-(4-chlorophenyl)-[1-(4-chlorophenyl)pyrrol-3-yl]methyl]imidazole

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=CC(=O)C=C(N2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations