Geometry & MOs

Info

ID:	323796
PubChem CID:	126676197
Reduced:	N2O3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	-126.84
Dipole, Da:	5.47
IP(EA), eV:	-8.99(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-ethylpyrazole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/N=C/C(=C\N)/CO

DOS

IR

Vibrations