Geometry & MOs

Info

ID:	86509
PubChem CID:	49886430
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-24.27
Dipole, Da:	5.44
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethoxy-5-methylphenyl)-1H-pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C)C2=C(C=NN2)C=O

DOS

IR

Vibrations