Geometry & MOs

Info

ID:	263417
PubChem CID:	103366083
Reduced:	ON2F3C11H21 (1)
Stoich.:	AB2C3D11E21 (1)
Weight, g/mol:	264.181333
ΔH_f, kcal/mol:	-233.43
Dipole, Da:	5.42
IP(EA), eV:	-9.16(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropan-1-amine

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCO)CC(CN)C(F)(F)F

DOS

IR

Vibrations