Geometry & MOs

Info

ID:	217719
PubChem CID:	85088265
Reduced:	PO3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	392.17002
ΔH_f, kcal/mol:	-78.69
Dipole, Da:	6.61
IP(EA), eV:	-8.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methanol

Drug info:

PubChemData

Smile

CC=CC(C(C1=CC=C(C=C1)OC)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations