Geometry & MOs

Info

ID:	273168
PubChem CID:	103770616
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-127.32
Dipole, Da:	4.7
IP(EA), eV:	-9.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)CN1C=CC=NC1=O)O

DOS

IR

Vibrations