Geometry & MOs

Info

ID:	71147
PubChem CID:	48414359
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	308.133634
ΔH_f, kcal/mol:	-36.97
Dipole, Da:	6.6
IP(EA), eV:	-8.98(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[2-(difluoromethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)C3=CN=NS3

DOS

IR

Vibrations