Geometry & MOs

Info

ID:	86508
PubChem CID:	49886416
Reduced:	ClFNSO4C11H13 (1)
Stoich.:	ABCDE4F11G13 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-206.49
Dipole, Da:	4.42
IP(EA), eV:	-9.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=C(C=CC(=C1)Cl)F)S(=O)(=O)C

DOS

IR

Vibrations