Geometry & MOs

Info

ID:	315612
PubChem CID:	126628169
Reduced:	N3H19C33 (1)
Stoich.:	A3B19C33 (1)
Weight, g/mol:	340.132411
ΔH_f, kcal/mol:	195.6
Dipole, Da:	9.07
IP(EA), eV:	-8.88(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[C-[(Z)-2-aminoethenyl]-N-(3-ethynylphenyl)carbonimidoyl]-1-phenylpyridazin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3=C(C=C(C=C3)N4C5=C(C=C(C=C5)C#N)C6=C4C=CC(=C6)C#N)C7=CC=CC=C27

DOS

IR

Vibrations