Geometry & MOs

Info

ID:	64741
PubChem CID:	29203934
Reduced:	FN4O5C21H21 (1)
Stoich.:	AB4C5D21E21 (1)
Weight, g/mol:	387.19582
ΔH_f, kcal/mol:	-116.55
Dipole, Da:	9.68
IP(EA), eV:	-9.22(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

DOS

IR

Vibrations