Geometry & MOs

Info

ID:	241264
PubChem CID:	96022278
Reduced:	NSF2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	257.122735
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	3.34
IP(EA), eV:	-9.2(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1C2=C(CCN1)C=C(C=C2F)F)S

DOS

IR

Vibrations