Geometry & MOs

Info

ID:	273304
PubChem CID:	103770861
Reduced:	BrNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	205.11365
ΔH_f, kcal/mol:	-134.68
Dipole, Da:	1.29
IP(EA), eV:	-9.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C(C)OC1=CC=C(C=C1)Br)O

DOS

IR

Vibrations