Geometry & MOs

Info

ID:	162234
PubChem CID:	57394017
Reduced:	Cl2N3H15C20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	313.157898
ΔH_f, kcal/mol:	97.91
Dipole, Da:	5.51
IP(EA), eV:	-9.17(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-(4-methylphenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@@H](C2=CN(C=C2)C3=CC=C(C=C3)Cl)N4C=CN=C4)Cl

DOS

IR

Vibrations