Geometry & MOs

Info

ID:	241183
PubChem CID:	96021808
Reduced:	NF4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	295.098412
ΔH_f, kcal/mol:	-151.19
Dipole, Da:	2.12
IP(EA), eV:	-9.42(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)CC3=C(C=CC=C3F)F

DOS

IR

Vibrations