Geometry & MOs

Info

ID:	224647
PubChem CID:	85345595
Reduced:	NF3C18H20 (1)
Stoich.:	AB3C18D20 (1)
Weight, g/mol:	308.198759
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	5.06
IP(EA), eV:	-9.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,12-dihydroxy-4,15,15-trimethyltricyclo[10.2.1.04,9]pentadecane-3,8-dione

Drug info:

PubChemData

Smile

CCC1=CC2CC(C1)CC(=NC3=CC=CC=C3C(F)(F)F)C2

DOS

IR

Vibrations