Geometry & MOs

Info

ID:	122059
PubChem CID:	50791911
Reduced:	O4N5C25H31 (1)
Stoich.:	A4B5C25D31 (1)
Weight, g/mol:	461.263819
ΔH_f, kcal/mol:	-140.56
Dipole, Da:	7.64
IP(EA), eV:	-8.14(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=CC3=C(C=C2NC(=O)NC4=CC=C(C=C4)C)N(C(=O)N3C)C

DOS

IR

Vibrations