Geometry & MOs

Info

ID:	19152
PubChem CID:	555640
Reduced:	O2N4H10C13 (1)
Stoich.:	A2B4C10D13 (1)
Weight, g/mol:	254.080376
ΔH_f, kcal/mol:	37.54
Dipole, Da:	4.62
IP(EA), eV:	-9.68(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-6-imino-4-methyl-1-phenylpyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=N)N(N=C1C(=O)O)C2=CC=CC=C2)C#N

DOS

IR

Vibrations