Geometry & MOs

Info

ID:	220814
PubChem CID:	85240098
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	4.02
IP(EA), eV:	-8.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4,4-dimethyl-5-oxopyrrolidin-2-ylidene)ethyl]-2,4,4-trimethyl-3H-pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC12CC=C3C(C1CCC2O)CCC(=CC(=O)C=C)N3

DOS

IR

Vibrations