Geometry & MOs

Info

ID:	266724
PubChem CID:	103579212
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	42.69
Dipole, Da:	5.32
IP(EA), eV:	-8.85(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-nitro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CNC2=CC=CC=C21

DOS

IR

Vibrations