Geometry & MOs

Info

ID:	242129
PubChem CID:	96026417
Reduced:	ClFON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	292.077869
ΔH_f, kcal/mol:	-33.56
Dipole, Da:	4.64
IP(EA), eV:	-8.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloropyridin-4-yl)-6-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@@H](C2=C1)C3=CC(=NC=C3)Cl)F

DOS

IR

Vibrations