Geometry & MOs

Info

ID:	220520
PubChem CID:	85197647
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	6.38
IP(EA), eV:	-9.22(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 1-O-ethyl 3a-methyl-4-methylidene-3-oxo-1,5,6,6a-tetrahydrocyclopenta[c]pyrrole-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC=CC=CC(C1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations