Geometry & MOs

Info

ID:	71579
PubChem CID:	48415068
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-4.46
Dipole, Da:	3.73
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations