Geometry & MOs

Info

ID:	241681
PubChem CID:	96023994
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	287.148556
ΔH_f, kcal/mol:	-26.21
Dipole, Da:	4.22
IP(EA), eV:	-8.91(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(2,6-difluorophenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@H](CO)C3=CC=CC=C3

DOS

IR

Vibrations