Geometry & MOs

Info

ID:	391021
PubChem CID:	135002281
Reduced:	N2O3H16C23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	61.83
Dipole, Da:	5.06
IP(EA), eV:	-9.08(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-tert-butyliminocyclopenta[f][1,3]benzodioxole-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations