Geometry & MOs

Info

ID:	243247
PubChem CID:	99217806
Reduced:	O4N5H23C24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	460.155826
ΔH_f, kcal/mol:	3.03
Dipole, Da:	8.96
IP(EA), eV:	-8.61(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)NCCOC)[N+](=O)[O-]

DOS

IR

Vibrations