Geometry & MOs

Info

ID:	327220
PubChem CID:	126689255
Reduced:	FN2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	580.22974
ΔH_f, kcal/mol:	-71.65
Dipole, Da:	7.31
IP(EA), eV:	-9.66(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(2-fluoro-2-methyl-3-phenylmethoxypropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1CCC(C1=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations