Geometry & MOs

Info

ID:	71225
PubChem CID:	48414478
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	349.160183
ΔH_f, kcal/mol:	14.94
Dipole, Da:	3.8
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations