Geometry & MOs

Info

ID:	363829
PubChem CID:	127313486
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-86.49
Dipole, Da:	4.98
IP(EA), eV:	-8.8(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)NCCN2CCN(CC2)C(=O)C3CCC3)C

DOS

IR

Vibrations