Geometry & MOs

Info

ID:	71765
PubChem CID:	48415350
Reduced:	BrO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	419.187878
ΔH_f, kcal/mol:	-7.22
Dipole, Da:	4.79
IP(EA), eV:	-9.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3Br

DOS

IR

Vibrations