Geometry & MOs

Info

ID:	375205
PubChem CID:	131472846
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	282.03678
ΔH_f, kcal/mol:	-50.19
Dipole, Da:	4.68
IP(EA), eV:	-8.76(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-5-amino-3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC2=C([C@@H](CC2)N)C(=C1)Br

DOS

IR

Vibrations