Geometry & MOs

Info

ID:	279364
PubChem CID:	103843433
Reduced:	INO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	303.079284
ΔH_f, kcal/mol:	-73.71
Dipole, Da:	4.21
IP(EA), eV:	-9.63(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC(=CC=C1)I)CO

DOS

IR

Vibrations