Geometry & MOs

Info

ID:	404120
PubChem CID:	135065087
Reduced:	PN2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-196.3
Dipole, Da:	5.4
IP(EA), eV:	-9.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-tert-butyl-4-(thiophene-2-carbonyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NNC(=C1C2=CC=CC=C2)P(=O)(OC)OC

DOS

IR

Vibrations