Geometry & MOs

Info

ID:	241151
PubChem CID:	96021544
Reduced:	FNC18H18 (1)
Stoich.:	ABC18D18 (1)
Weight, g/mol:	277.107834
ΔH_f, kcal/mol:	0.07
Dipole, Da:	3.39
IP(EA), eV:	-9.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-methyl-1-(2,3,6-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@@H](NCCC2=CC=C1)/C=C/C3=CC(=CC=C3)F

DOS

IR

Vibrations