Geometry & MOs

Info

ID:	389634
PubChem CID:	134994203
Reduced:	NWO6C9H9 (1)
Stoich.:	ABC6D9E9 (1)
Weight, g/mol:	226.058971
ΔH_f, kcal/mol:	77.44
Dipole, Da:	10.09
IP(EA), eV:	-6.98(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(3-nitropropanoyl)-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

DOS

IR

Vibrations