Geometry & MOs

Info

ID:	71351
PubChem CID:	48414670
Reduced:	OSN2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	53.27
Dipole, Da:	3.89
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations