Geometry & MOs

Info

ID:	207131
PubChem CID:	80351863
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-102.6
Dipole, Da:	4.43
IP(EA), eV:	-8.34(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-amino-2-ethylpyrazole-3-carbonyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1N)C(=O)N2CCC(C2)C(=O)OC)C

DOS

IR

Vibrations