Geometry & MOs

Info

ID:	69369
PubChem CID:	46530876
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	381.084887
ΔH_f, kcal/mol:	-30.89
Dipole, Da:	2.06
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSC2=CC=CC=C2C(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations