Geometry & MOs

Info

ID:	70815
PubChem CID:	48413907
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	391.125609
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	6.21
IP(EA), eV:	-9.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations