Geometry & MOs

Info

ID:	71576
PubChem CID:	48415064
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	308.133634
ΔH_f, kcal/mol:	-53.24
Dipole, Da:	6.8
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations