Geometry & MOs

Info

ID:	337292
PubChem CID:	127256974
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-170.57
Dipole, Da:	2.17
IP(EA), eV:	-9.21(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-oxocyclohexa-1,3-dien-1-yl)ethyl pyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)CC1(CCCNC1)O

DOS

IR

Vibrations