Geometry & MOs

Info

ID:	49672
PubChem CID:	11533505
Reduced:	ClON6C28H33 (1)
Stoich.:	ABC6D28E33 (1)
Weight, g/mol:	505.170115
ΔH_f, kcal/mol:	62.67
Dipole, Da:	2.92
IP(EA), eV:	-8.46(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]benzimidazole

Drug info:

PubChemData

Smile

CCN(CC)CCN(C)CC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3C)C4=C(C=CC(=C4)O)Cl)N=N2

DOS

IR

Vibrations