Geometry & MOs

Info

ID:	71303
PubChem CID:	48414593
Reduced:	N3O3C19H31 (1)
Stoich.:	A3B3C19D31 (1)
Weight, g/mol:	316.097855
ΔH_f, kcal/mol:	-117.86
Dipole, Da:	3.29
IP(EA), eV:	-8.95(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(5-chloro-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations