Geometry & MOs

Info

ID:	161653
PubChem CID:	57392257
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	491.072281
ΔH_f, kcal/mol:	32.34
Dipole, Da:	8.82
IP(EA), eV:	-8.84(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=C/C(=C/3\C=NC4=C3C=CC=N4)/NC(=O)N2

DOS

IR

Vibrations