Geometry & MOs

Info

ID:	158124
PubChem CID:	56463026
Reduced:	O2F3N3H16C22 (1)
Stoich.:	A2B3C3D16E22 (1)
Weight, g/mol:	411.100618
ΔH_f, kcal/mol:	-130.05
Dipole, Da:	2.34
IP(EA), eV:	-8.97(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F

DOS

IR

Vibrations