Geometry & MOs

Info

ID:	71404
PubChem CID:	48414799
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	1.53
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-but-3-ynylpiperazin-1-yl)-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCNC(=O)C2=CC=CO2

DOS

IR

Vibrations