Geometry & MOs

Info

ID:	122378
PubChem CID:	50804010
Reduced:	N3O5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	474.28422
ΔH_f, kcal/mol:	-235.71
Dipole, Da:	4.3
IP(EA), eV:	-9.0(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-4-[3-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]piperidin-1-yl]propyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCC(CC2)C(=O)N3CCOCC3)C

DOS

IR

Vibrations