Geometry & MOs

Info

ID:	207389
PubChem CID:	80391018
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-101.95
Dipole, Da:	3.24
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutan-2-yl 4-amino-2-ethylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)C(=O)OC(C)C(C)C

DOS

IR

Vibrations