Geometry & MOs

Info

ID:	272663
PubChem CID:	103750788
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-88.3
Dipole, Da:	5.21
IP(EA), eV:	-9.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations