Geometry & MOs

Info

ID:	153779
PubChem CID:	56313090
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	378.141594
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	3.09
IP(EA), eV:	-9.71(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations