Geometry & MOs

Info

ID:	242132
PubChem CID:	96026422
Reduced:	FNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	259.11209
ΔH_f, kcal/mol:	-111.39
Dipole, Da:	2.51
IP(EA), eV:	-8.78(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-7-methoxy-1-pyrimidin-2-yl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations