Geometry & MOs

Info

ID:	162880
PubChem CID:	57578245
Reduced:	N4H60C61 (1)
Stoich.:	A4B60C61 (1)
Weight, g/mol:	360.089878
ΔH_f, kcal/mol:	238.66
Dipole, Da:	1.56
IP(EA), eV:	-7.31(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-4,7-diphenylinden-2-ylidene)propanedinitrile

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C3=[N+]4C(=C(C5=C(C(=C6N5C47N2C1=C(C8=[N+]7C(=C6C9=CC=CC=C9)C(=C8CC)CC)C1=CC=CC=C1)CC)CC)C1=CC=CC=C1)C(=C3CC)CC)C1=CC=CC=C1)CC

DOS

IR

Vibrations