Geometry & MOs

Info

ID:	382443
PubChem CID:	134973596
Reduced:	N2O5C22H30 (1)
Stoich.:	A2B5C22D30 (1)
Weight, g/mol:	312.168522
ΔH_f, kcal/mol:	-202.19
Dipole, Da:	3.4
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,4-dimethyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxo-2H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1C)CNC(=O)OC(C)(C)C)C)OCC2=CC=CC=C2

DOS

IR

Vibrations