Geometry & MOs

Info

ID:	24682
PubChem CID:	612176
Reduced:	N2O3H8C11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	216.053492
ΔH_f, kcal/mol:	24.16
Dipole, Da:	6.48
IP(EA), eV:	-9.75(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-nitrophenyl)pyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])N2C=CC=C2C=O

DOS

IR

Vibrations