Geometry & MOs

Info

ID:	73133
PubChem CID:	48417055
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	388.089558
ΔH_f, kcal/mol:	-49.96
Dipole, Da:	6.73
IP(EA), eV:	-9.28(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations