Geometry & MOs

Info

ID:	39586
PubChem CID:	8141465
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-117.3
Dipole, Da:	6.75
IP(EA), eV:	-7.66(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C

DOS

IR

Vibrations