Geometry & MOs

Info

ID:	71493
PubChem CID:	48414955
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-25.49
Dipole, Da:	4.89
IP(EA), eV:	-9.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations