Geometry & MOs

Info

ID:	11027
PubChem CID:	110102
Reduced:	O3N5C19H20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	366.156615
ΔH_f, kcal/mol:	96.75
Dipole, Da:	16.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.096377
Charge, e:	1

Chem-info

IUPAC name:

[8-[[3-(dihydroxyamino)-4-iminocyclohexa-2,5-dien-1-ylidene]hydrazinylidene]-7-oxonaphthalen-2-yl]-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)C1=CC2=C(C=C1)C=CC(=O)C2=NN=C3C=CC(=N)C(=C3)N(O)O

DOS

IR

Vibrations