Geometry & MOs

Info

ID:	313602
PubChem CID:	126616280
Reduced:	Cl2N2O3H26C32 (1)
Stoich.:	A2B2C3D26E32 (1)
Weight, g/mol:	595.179333
ΔH_f, kcal/mol:	-8.98
Dipole, Da:	5.0
IP(EA), eV:	-9.13(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2C[C@H](C4=CC=CC=C4)O)C=C(C=C3)C(C5=CC=C(C=C5)Cl)(C6=CC=C(C=C6)Cl)C(=O)O

DOS

IR

Vibrations