Geometry & MOs

Info

ID:	71755
PubChem CID:	48415329
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-51.14
Dipole, Da:	6.14
IP(EA), eV:	-8.83(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations