Geometry & MOs

Info

ID:	55735
PubChem CID:	17396224
Reduced:	ClO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-70.91
Dipole, Da:	6.27
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC(=O)NCCC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations