Geometry & MOs

Info

ID:	69624
PubChem CID:	47205046
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	24.49
Dipole, Da:	4.34
IP(EA), eV:	-8.61(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitrophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NCC3=CC=NN3

DOS

IR

Vibrations