Geometry & MOs

Info

ID:	391922
PubChem CID:	135011017
Reduced:	N2O3C10H13 (2)
Stoich.:	A2B3C10D13 (2)
Weight, g/mol:	109.052764
ΔH_f, kcal/mol:	-90.71
Dipole, Da:	8.81
IP(EA), eV:	-9.51(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-methylidene-1H-pyrrol-3-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C[C@]2([C@@]1(CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[C@H]2C)C)C)C(=O)OC

DOS

IR

Vibrations