Geometry & MOs

Info

ID:	404121
PubChem CID:	135065088
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-69.92
Dipole, Da:	6.66
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-tert-butyl-4-(thiophene-2-carbonyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C=C1C(=O)C2=CC=CS2)C(C)(C)C

DOS

IR

Vibrations