Geometry & MOs

Info

ID:	242102
PubChem CID:	96026282
Reduced:	FNOC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	-54.66
Dipole, Da:	3.21
IP(EA), eV:	-8.66(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-7-methoxy-1-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@H](C2=C1)C3CC=CC3)F

DOS

IR

Vibrations