Geometry & MOs

Info

ID:	241229
PubChem CID:	96022148
Reduced:	ClNF2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	1.58
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)CC3=CC=CC=C3Cl

DOS

IR

Vibrations