Geometry & MOs

Info

ID:	241273
PubChem CID:	96022300
Reduced:	NF4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	287.148556
ΔH_f, kcal/mol:	-150.7
Dipole, Da:	3.13
IP(EA), eV:	-9.38(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(2,5-dimethylphenyl)methyl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)CC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations