Geometry & MOs

Info

ID:	272187
PubChem CID:	103734271
Reduced:	ClN3O4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-85.54
Dipole, Da:	3.75
IP(EA), eV:	-10.28(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)-2-(triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations