Geometry & MOs

Info

ID:	220619
PubChem CID:	85198063
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	341.220223
ΔH_f, kcal/mol:	46.68
Dipole, Da:	8.95
IP(EA), eV:	-8.08(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O-ethyl 3-(2-hydroxyethyl)-4-methyl-4-prop-1-en-2-ylpyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCC[N+]1=C2C=CC(=NC2=[N+](C3=C1C=CC=N3)CCCC)[N+](=O)[O-]

DOS

IR

Vibrations