Geometry & MOs

Info

ID:	151357
PubChem CID:	53801130
Reduced:	NO2F5H24C27 (1)
Stoich.:	AB2C5D24E27 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-242.37
Dipole, Da:	4.78
IP(EA), eV:	-8.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl] 2-oxopropanoate

Drug info:

PubChemData

Smile

C1CCN(C1)CCC2=CC=C(C=C2)[C@H]3[C@H](COC4=C3C=C(C=C4)O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations