Geometry & MOs

Info

ID:	70898
PubChem CID:	48414016
Reduced:	ON5F6H13C17 (1)
Stoich.:	AB5C6D13E17 (1)
Weight, g/mol:	381.116107
ΔH_f, kcal/mol:	-256.04
Dipole, Da:	2.03
IP(EA), eV:	-9.58(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxypyridazin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations