Geometry & MOs

Info

ID:	241241
PubChem CID:	96022181
Reduced:	NF2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	260.112505
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	3.45
IP(EA), eV:	-9.05(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-(6-methylpyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)[C@H]2C3=C(CCN2)C=C(C=C3F)F)C

DOS

IR

Vibrations