Geometry & MOs

Info

ID:	242097
PubChem CID:	96026239
Reduced:	FNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	235.137242
ΔH_f, kcal/mol:	-190.37
Dipole, Da:	3.34
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(cyclopropylmethyl)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations