Geometry & MOs

Info

ID:	242039
PubChem CID:	96025195
Reduced:	NF2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	287.148556
ΔH_f, kcal/mol:	-65.52
Dipole, Da:	4.62
IP(EA), eV:	-8.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3,5-difluorophenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations