Geometry & MOs

Info

ID:	343225
PubChem CID:	127266398
Reduced:	SN3O3C16H27 (1)
Stoich.:	AB3C3D16E27 (1)
Weight, g/mol:	320.113648
ΔH_f, kcal/mol:	-103.41
Dipole, Da:	3.16
IP(EA), eV:	-8.43(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCS(=O)(=O)NCC2=CC(=CC=C2)OC

DOS

IR

Vibrations