Geometry & MOs

Info

ID:	122058
PubChem CID:	50791663
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	465.237604
ΔH_f, kcal/mol:	-64.25
Dipole, Da:	2.64
IP(EA), eV:	-8.71(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1,3-dimethyl-6-[(4-methylphenyl)carbamoylamino]-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=NN2C)C)OCC(=O)NCC3=CC=C(C=C3)OC(C)C

DOS

IR

Vibrations