Geometry & MOs

Info

ID:	349286
PubChem CID:	127275073
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	359.187878
ΔH_f, kcal/mol:	-121.89
Dipole, Da:	5.55
IP(EA), eV:	-8.75(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(2-methyl-1,4-oxazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1COC(CN1CC(=O)N2CCC(CC2)C(=O)N3CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations