Geometry & MOs

Info

ID:	244842
PubChem CID:	99431442
Reduced:	O2F3N4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	418.16166
ΔH_f, kcal/mol:	-190.7
Dipole, Da:	4.13
IP(EA), eV:	-9.15(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-pyridin-2-yl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)CCNC2=NC=CC=N2)(C(F)(F)F)O

DOS

IR

Vibrations