Geometry & MOs

Info

ID:	12092
PubChem CID:	129975
Reduced:	N2O3H6C11 (1)
Stoich.:	A2B3C6D11 (1)
Weight, g/mol:	214.037842
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	4.58
IP(EA), eV:	-9.02(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-isocyanatophenyl)pyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=C=O)N2C(=O)C=CC2=O

DOS

IR

Vibrations