Geometry & MOs

Info

ID:	218183
PubChem CID:	85089001
Reduced:	ClOF3N4H18C21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	436.171769
ΔH_f, kcal/mol:	-96.19
Dipole, Da:	1.63
IP(EA), eV:	-9.09(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-4,6,7,8-tetrahydrobenzo[f]indazol-5-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CC(=NC3=C4C(=NC=C3)C=C(C=N4)C(F)(F)F)C2=O)Cl

DOS

IR

Vibrations