Geometry & MOs

Info

ID:	71610
PubChem CID:	48415108
Reduced:	FO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-71.09
Dipole, Da:	2.8
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)CCC#C)NC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations