Geometry & MOs

Info

ID:	335781
PubChem CID:	127254643
Reduced:	ClFN4O4H22C24 (1)
Stoich.:	ABC4D4E22F24 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	-128.13
Dipole, Da:	3.73
IP(EA), eV:	-9.05(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-4-pyrrol-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCC3=NC(=NO3)C4=C(C=CC=C4Cl)F)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations