Geometry & MOs

Info

ID:	242145
PubChem CID:	96026563
Reduced:	FNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	287.14339
ΔH_f, kcal/mol:	-61.81
Dipole, Da:	4.03
IP(EA), eV:	-8.55(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4,6-dimethylpyrimidin-5-yl)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1(C[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2)F)OC)C

DOS

IR

Vibrations