Geometry & MOs

Info

ID:	273459
PubChem CID:	103771157
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	216.147393
ΔH_f, kcal/mol:	-91.71
Dipole, Da:	3.56
IP(EA), eV:	-9.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=CC=C1Br)O

DOS

IR

Vibrations