Geometry & MOs

Info

ID:	372156
PubChem CID:	131293902
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	326.97318
ΔH_f, kcal/mol:	6.89
Dipole, Da:	3.84
IP(EA), eV:	-8.87(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2CN(CCN2)C

DOS

IR

Vibrations