Geometry & MOs

Info

ID:	432813
PubChem CID:	135172950
Reduced:	ON5C15H16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	70.57
Dipole, Da:	6.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.016345
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-dimethylimidazol-2-ylidene)hydrazinyl]-1-iminonaphthalen-2-one

Drug info:

PubChemData

Smile

CN1C=CN(C1=NNC2=CC(=O)C(=[NH2+])C3=CC=CC=C32)C

DOS

IR

Vibrations