Geometry & MOs

Info

ID:	121044
PubChem CID:	50754204
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	360.08524
ΔH_f, kcal/mol:	-21.92
Dipole, Da:	6.7
IP(EA), eV:	-8.81(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]ethanone

Drug info:

PubChemData

Smile

C=CCNC(=O)C1=CC=C(C=C1)N2CCCN(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations