Geometry & MOs

Info

ID:	257160
PubChem CID:	103144114
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	277.107834
ΔH_f, kcal/mol:	30.04
Dipole, Da:	0.92
IP(EA), eV:	-9.07(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=CC3=C2CNCC3

DOS

IR

Vibrations