Geometry & MOs

Info

ID:	71593
PubChem CID:	48415086
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	3.62
IP(EA), eV:	-8.83(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[3-(dimethylamino)phenyl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations