Geometry & MOs

Info

ID:	71555
PubChem CID:	48415033
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-19.46
Dipole, Da:	2.41
IP(EA), eV:	-8.86(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-ethoxy-4-propoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations