Geometry & MOs

Info

ID:	364603
PubChem CID:	127315855
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-90.57
Dipole, Da:	3.63
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-(1-benzofuran-3-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2=COC3=CC=CC=C32)N4CCOCC4

DOS

IR

Vibrations