Geometry & MOs

Info

ID:	81844
PubChem CID:	49855247
Reduced:	F3N3O5H16C20 (1)
Stoich.:	A3B3C5D16E20 (1)
Weight, g/mol:	421.191403
ΔH_f, kcal/mol:	-188.06
Dipole, Da:	8.8
IP(EA), eV:	-9.45(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations