Geometry & MOs

Info

ID:	18430
PubChem CID:	540894
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	-153.02
Dipole, Da:	6.02
IP(EA), eV:	-8.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-acetyl-4-(4-methoxyphenyl)-3-morpholin-4-ylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C=C(C(=C1C(=O)OC)N2CCOCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations