Geometry & MOs

Info

ID:	363720
PubChem CID:	127313338
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-3.9
Dipole, Da:	9.09
IP(EA), eV:	-8.83(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,7-dimethyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4)N=N1

DOS

IR

Vibrations