Geometry & MOs

Info

ID:	421386
PubChem CID:	135115903
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-48.42
Dipole, Da:	4.44
IP(EA), eV:	-9.28(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-6-oxopiperidin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)CCN)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations