Geometry & MOs

Info

ID:	122373
PubChem CID:	50804005
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-197.65
Dipole, Da:	2.97
IP(EA), eV:	-9.07(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-4-[3-(4-methylanilino)-3-oxopropyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)NCC2CCCO2)C

DOS

IR

Vibrations