Geometry & MOs

Info

ID:	406945
PubChem CID:	135078962
Reduced:	NO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	307.174771
ΔH_f, kcal/mol:	-124.85
Dipole, Da:	5.29
IP(EA), eV:	-10.05(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-dec-1-ynyl-4,5-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C(=C1)[N+](=O)[O-])C)OC

DOS

IR

Vibrations