Geometry & MOs

Info

ID:	71429
PubChem CID:	48414845
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-18.68
Dipole, Da:	3.11
IP(EA), eV:	-8.83(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4-ethoxyphenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2CCCC2

DOS

IR

Vibrations