Geometry & MOs

Info

ID:	21651
PubChem CID:	589414
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	1.07
Dipole, Da:	5.43
IP(EA), eV:	-8.85(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-pyridin-3-yl-2,3-dihydropyrrol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC=C1C2=CN=CC=C2

DOS

IR

Vibrations