Geometry & MOs

Info

ID:	279378
PubChem CID:	103843550
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	358.05282
ΔH_f, kcal/mol:	-124.93
Dipole, Da:	6.41
IP(EA), eV:	-9.32(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)CCN(C)C)CO

DOS

IR

Vibrations