Geometry & MOs

Info

ID:	71445
PubChem CID:	48414880
Reduced:	BrN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	0.6
Dipole, Da:	2.61
IP(EA), eV:	-8.99(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COC2=CC=C(C=C2)Br

DOS

IR

Vibrations