Geometry & MOs

Info

ID:	26914
PubChem CID:	804379
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	-58.85
Dipole, Da:	5.86
IP(EA), eV:	-8.72(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-2-(phenylhydrazinylidene)-3a,7a-dihydroindene-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations