Geometry & MOs

Info

ID:	242037
PubChem CID:	96025185
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	273.132906
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	3.55
IP(EA), eV:	-7.91(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,3-difluorophenyl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC[C@H]([C@@H]1C2=C(CCN1)C=CC(=C2C)C)Br

DOS

IR

Vibrations