Geometry & MOs

Info

ID:	71623
PubChem CID:	48415123
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	29.52
Dipole, Da:	4.09
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations