Geometry & MOs

Info

ID:	312733
PubChem CID:	126607606
Reduced:	INC6H8 (1)
Stoich.:	ABC6D8 (1)
Weight, g/mol:	427.248444
ΔH_f, kcal/mol:	59.59
Dipole, Da:	2.14
IP(EA), eV:	-9.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4E,6E)-7-[6-imino-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]pyridazin-1-yl]-2,2-dimethylhepta-4,6-dien-3-ylidene]methanimidamide

Drug info:

PubChemData

Smile

C/C(=C/I)/N=CC=C

DOS

IR

Vibrations