Geometry & MOs

Info

ID:	221586
PubChem CID:	85280712
Reduced:	N2O3H12C14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-24.22
Dipole, Da:	8.35
IP(EA), eV:	-9.45(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2-(2-nitroprop-1-enyl)pyrrole

Drug info:

PubChemData

Smile

COC1=CC(=O)C=CC1=NNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations