Geometry & MOs

Info

ID:	404250
PubChem CID:	135065614
Reduced:	N2S2O4H14C17 (1)
Stoich.:	A2B2C4D14E17 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-46.27
Dipole, Da:	2.67
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-methoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1OC2=CC=CC(=C2O1)NC(=S)CC(=S)NC3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations