Geometry & MOs

Info

ID:	121945
PubChem CID:	50787451
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	446.289306
ΔH_f, kcal/mol:	-174.11
Dipole, Da:	8.07
IP(EA), eV:	-9.18(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[4-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)CC(=O)NC3CC3)C

DOS

IR

Vibrations