Geometry & MOs

Info

ID:	153966
PubChem CID:	56313323
Reduced:	N2F3O3C24H29 (1)
Stoich.:	A2B3C3D24E29 (1)
Weight, g/mol:	404.086303
ΔH_f, kcal/mol:	-235.43
Dipole, Da:	5.99
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-chloro-2-methoxybenzoyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3)OCC(F)(F)F

DOS

IR

Vibrations