Geometry & MOs

Info

ID:	72776
PubChem CID:	48416532
Reduced:	ClN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	5.34
IP(EA), eV:	-9.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations