Geometry & MOs

Info

ID:	242144
PubChem CID:	96026552
Reduced:	FNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	249.152892
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	2.03
IP(EA), eV:	-8.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1S)-2,2-dimethylcyclopropyl]-6-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C[C@H]2C3=C(CCN2)C=CC(=C3F)OC)C

DOS

IR

Vibrations