Geometry & MOs

Info

ID:	155903
PubChem CID:	56368228
Reduced:	Br2N2O2C17H18 (1)
Stoich.:	A2B2C2D17E18 (1)
Weight, g/mol:	419.12084
ΔH_f, kcal/mol:	-31.9
Dipole, Da:	3.34
IP(EA), eV:	-9.27(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1-ethylpyrrol-2-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N2CCOC(C2)C3=CC=C(C=C3)Br)Br

DOS

IR

Vibrations