Geometry & MOs

Info

ID:	203427
PubChem CID:	79829403
Reduced:	NF2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	278.272199
ΔH_f, kcal/mol:	-188.1
Dipole, Da:	6.17
IP(EA), eV:	-8.44(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N,2,2-trimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1(CCCCC1NC2=CC3=C(C=C2)OC(O3)(F)F)C

DOS

IR

Vibrations