Geometry & MOs

Info

ID:	217714
PubChem CID:	85088260
Reduced:	N2O6H16C21 (1)
Stoich.:	A2B6C16D21 (1)
Weight, g/mol:	392.151176
ΔH_f, kcal/mol:	-168.91
Dipole, Da:	6.84
IP(EA), eV:	-9.47(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4a-methyl-5-(3,4,4-trifluorobut-3-enyl)-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC(=C4C5=CC=CC=C5NC4=O)C(=O)C3=C2)O

DOS

IR

Vibrations