Geometry & MOs

Info

ID:	71537
PubChem CID:	48415013
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-13.24
Dipole, Da:	4.84
IP(EA), eV:	-8.72(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations