Geometry & MOs

Info

ID:	69357
PubChem CID:	46530819
Reduced:	FOCl2N4C24H25 (1)
Stoich.:	ABC2D4E24F25 (1)
Weight, g/mol:	419.156909
ΔH_f, kcal/mol:	-26.9
Dipole, Da:	5.78
IP(EA), eV:	-9.17(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCC(C2=CC=CC=C2Cl)N3CCCC3)Cl)CC4=CC=C(C=C4)F

DOS

IR

Vibrations