Geometry & MOs

Info

ID:	241174
PubChem CID:	96021723
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	296.17002
ΔH_f, kcal/mol:	13.88
Dipole, Da:	3.41
IP(EA), eV:	-9.06(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methylbutyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)CC3=CC=CC=C3CCl

DOS

IR

Vibrations