Geometry & MOs

Info

ID:	1090
PubChem CID:	3774
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-78.62
Dipole, Da:	2.88
IP(EA), eV:	-8.79(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-[(1-methylpyrrol-2-yl)methyl]oxolan-2-one

Drug info:

PubChemData

Smile

CCC1C(COC1=O)CC2=CC=CN2C

DOS

IR

Vibrations