Geometry & MOs

Info

ID:	220820
PubChem CID:	85240122
Reduced:	NO4C6H11 (1)
Stoich.:	AB4C6D11 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-160.85
Dipole, Da:	1.2
IP(EA), eV:	-9.72(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1,3-benzodioxol-5-ylmethylidene)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C2C(C(CN2OC1O)O)O

DOS

IR

Vibrations