Geometry & MOs

Info

ID:	244826
PubChem CID:	99431370
Reduced:	O2F3N3C22H22 (1)
Stoich.:	A2B3C3D22E22 (1)
Weight, g/mol:	377.135111
ΔH_f, kcal/mol:	-167.8
Dipole, Da:	0.65
IP(EA), eV:	-9.14(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC3=CC=CC=C3N2CC(=O)NCC[C@](C4=CC=CC=C4)(C(F)(F)F)O

DOS

IR

Vibrations