Geometry & MOs

Info

ID:	299207
PubChem CID:	117679518
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-9.83
Dipole, Da:	9.13
IP(EA), eV:	-8.79(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=O)C2=C(N1)NC=C2

DOS

IR

Vibrations