Geometry & MOs

Info

ID:	279353
PubChem CID:	103843363
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	299.128821
ΔH_f, kcal/mol:	-88.03
Dipole, Da:	4.06
IP(EA), eV:	-9.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC=C(C=C1)Br)CO

DOS

IR

Vibrations