Geometry & MOs

Info

ID:	21855
PubChem CID:	592561
Reduced:	N2O5H18C19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	354.121572
ΔH_f, kcal/mol:	-164.77
Dipole, Da:	8.85
IP(EA), eV:	-9.16(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-acetyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-1H-pyrrol-3-yl]propanoate

Drug info:

PubChemData

Smile

CC(=O)C1=C(NC=C1CCC(=O)OC)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations