Geometry & MOs

Info

ID:	241274
PubChem CID:	96022303
Reduced:	NF2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	299.07334
ΔH_f, kcal/mol:	-74.49
Dipole, Da:	2.91
IP(EA), eV:	-8.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations