Geometry & MOs

Info

ID:	148736
PubChem CID:	53788405
Reduced:	FH25C28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	275.224915
ΔH_f, kcal/mol:	90.41
Dipole, Da:	1.8
IP(EA), eV:	-8.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;2-(4-ethyl-9,10-dimethyl-4-azatricyclo[5.4.0.02,6]undeca-1(7),8,10-trien-2-yl)ethanol

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)C)F

DOS

IR

Vibrations