Geometry & MOs

Info

ID:	297007
PubChem CID:	117605621
Reduced:	N2O4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	345.02119
ΔH_f, kcal/mol:	-80.16
Dipole, Da:	5.95
IP(EA), eV:	-9.45(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O-methyl 5-acetyl-4-bromopyrrole-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C(=C1)[N+](=O)[O-])NC(C2)C(=O)O

DOS

IR

Vibrations