Geometry & MOs

Info

ID:	242107
PubChem CID:	96026293
Reduced:	FNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	263.118238
ΔH_f, kcal/mol:	-128.27
Dipole, Da:	6.19
IP(EA), eV:	-9.0(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-7-methoxy-1-(tetrazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@@H](C2=C1)/C=C/C(=O)O)F

DOS

IR

Vibrations