Geometry & MOs

Info

ID:	344395
PubChem CID:	127267571
Reduced:	FN3O3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-184.96
Dipole, Da:	4.99
IP(EA), eV:	-8.52(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCCC(=O)NC2=CC(=CC(=C2)F)N3CCOCC3

DOS

IR

Vibrations