Geometry & MOs

Info

ID:	302866
PubChem CID:	124397783
Reduced:	OF2N4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-63.32
Dipole, Da:	3.52
IP(EA), eV:	-9.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (8S)-8-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)[C@](CN)(CN2C=NC=N2)O

DOS

IR

Vibrations