Geometry & MOs

Info

ID:	275993
PubChem CID:	103819796
Reduced:	BrN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-90.75
Dipole, Da:	4.66
IP(EA), eV:	-10.22(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[2-(2-hydroxyethyl)pentyl]benzamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-])O

DOS

IR

Vibrations