Geometry & MOs

Info

ID:	30406
PubChem CID:	841265
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	6.61
IP(EA), eV:	-9.11(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-(4-nitropyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C#N)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations