Geometry & MOs

Info

ID:	71456
PubChem CID:	48414907
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	20.53
Dipole, Da:	1.36
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-but-3-ynylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations