Geometry & MOs

Info

ID:	161654
PubChem CID:	57392262
Reduced:	Cl3N3H20C27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	487.121818
ΔH_f, kcal/mol:	106.06
Dipole, Da:	8.93
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-[1-[(2,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)pyrrol-3-yl]-phenylmethyl]imidazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CN(C=C2C3=CC=C(C=C3)Cl)CC4=C(C=C(C=C4)Cl)Cl)N5C=CN=C5

DOS

IR

Vibrations