Geometry & MOs

Info

ID:	71564
PubChem CID:	48415051
Reduced:	N3O4C22H31 (1)
Stoich.:	A3B4C22D31 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-108.93
Dipole, Da:	3.95
IP(EA), eV:	-8.73(-0.36)
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]furan-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations