Geometry & MOs

Info

ID:	223392
PubChem CID:	85334960
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-42.51
Dipole, Da:	4.21
IP(EA), eV:	-9.48(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthrene-3,8a-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(C(=O)N(C(=O)N2C)C)C3=CC=CC=C3

DOS

IR

Vibrations