Geometry & MOs

Info

ID:	241162
PubChem CID:	96021617
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-112.34
Dipole, Da:	3.0
IP(EA), eV:	-9.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(difluoromethoxy)phenyl]-6-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

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CC1=C2[C@H](NCCC2=CC=C1)C3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations