Geometry & MOs

Info

ID:	177466
PubChem CID:	76188912
Reduced:	F3N3O6H14C15 (1)
Stoich.:	A3B3C6D14E15 (1)
Weight, g/mol:	395.13761
ΔH_f, kcal/mol:	-250.99
Dipole, Da:	8.73
IP(EA), eV:	-9.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylbutan-1-amine

Drug info:

PubChemData

Smile

C1C(COC2=NC(=CN21)[N+](=O)[O-])OCCOC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations