Geometry & MOs

Info

ID:	27162
PubChem CID:	817186
Reduced:	SN3O4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	329.135111
ΔH_f, kcal/mol:	-62.66
Dipole, Da:	5.25
IP(EA), eV:	-9.4(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)phenyl]-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(O2)/C=C(/C#N)\C(=O)N

DOS

IR

Vibrations