Geometry & MOs

Info

ID:	259052
PubChem CID:	103158101
Reduced:	BrNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	2.94
IP(EA), eV:	-9.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-3-methoxybutanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)Br)NCC(CC2CCCC2)O

DOS

IR

Vibrations