Geometry & MOs

Info

ID:	39587
PubChem CID:	8141467
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-105.11
Dipole, Da:	9.88
IP(EA), eV:	-8.02(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-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)N(C)C)C

DOS

IR

Vibrations