Geometry & MOs

Info

ID:	175680
PubChem CID:	75934839
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	429.145534
ΔH_f, kcal/mol:	-100.87
Dipole, Da:	2.65
IP(EA), eV:	-9.26(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CN1C2CCN(CC2)C(=O)C3CCCC4=CC=CC=C34

DOS

IR

Vibrations