Geometry & MOs

Info

ID:	71256
PubChem CID:	48414527
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	3.22
IP(EA), eV:	-8.51(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bicyclo[2.2.1]heptanyl-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations