Geometry & MOs

Info

ID:	26943
PubChem CID:	804595
Reduced:	ClO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	287.088161
ΔH_f, kcal/mol:	-76.72
Dipole, Da:	4.56
IP(EA), eV:	-9.93(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations