Geometry & MOs

Info

ID:	370749
PubChem CID:	127340111
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-70.86
Dipole, Da:	7.38
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-oxoethyl]azocan-2-one

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations