Geometry & MOs

Info

ID:	28825
PubChem CID:	829860
Reduced:	ON4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	328.103477
ΔH_f, kcal/mol:	12.39
Dipole, Da:	3.41
IP(EA), eV:	-9.21(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,3aS)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(4-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CCC(=O)NN

DOS

IR

Vibrations