Geometry & MOs

Info

ID:	25372
PubChem CID:	623901
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-154.48
Dipole, Da:	11.91
IP(EA), eV:	-9.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1(CC2=C(C(C3=C(N2)CC(OC3=O)(C)C)C4=CC=CC=C4)C(=O)O1)C

DOS

IR

Vibrations