Geometry & MOs

Info

ID:	129630
PubChem CID:	51073370
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-39.33
Dipole, Da:	4.09
IP(EA), eV:	-8.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,5-dimethyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations