Geometry & MOs

Info

ID:	266447
PubChem CID:	103566630
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	5.63
IP(EA), eV:	-9.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-cyano-5-methoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCNCC(COC1=CC(=CC(=C1)OC)C#N)O

DOS

IR

Vibrations