Geometry & MOs

Info

ID:	319992
PubChem CID:	126657765
Reduced:	FOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	328.105922
ΔH_f, kcal/mol:	-54.36
Dipole, Da:	1.9
IP(EA), eV:	-9.24(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5,14-dinitrotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol

Drug info:

PubChemData

Smile

CCC1(C2=C(CCC3=CC=CC=C31)C(=CC=C2)F)O

DOS

IR

Vibrations