Geometry & MOs

Info

ID:	122370
PubChem CID:	50804002
Reduced:	N3O3C19H31 (1)
Stoich.:	A3B3C19D31 (1)
Weight, g/mol:	362.13972
ΔH_f, kcal/mol:	-152.49
Dipole, Da:	4.0
IP(EA), eV:	-8.7(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C(=O)CCC2=C(NC(=C2C)C(=O)OCC)C

DOS

IR

Vibrations