Geometry & MOs

Info

ID:	71331
PubChem CID:	48414633
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	-70.19
Dipole, Da:	0.97
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations