Geometry & MOs

Info

ID:	29125
PubChem CID:	831740
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	341.135111
ΔH_f, kcal/mol:	-7.55
Dipole, Da:	6.61
IP(EA), eV:	-8.79(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=NNC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations