Geometry & MOs

Info

ID:	342104
PubChem CID:	127264817
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	432.03546
ΔH_f, kcal/mol:	-154.72
Dipole, Da:	4.06
IP(EA), eV:	-9.31(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(bromomethylsulfonyl)piperazin-1-yl]-3-(2,4-dimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC=C(C)C(=O)N1CCCC(C1)C(C)(C)C(=O)O

DOS

IR

Vibrations