Geometry & MOs

Info

ID:	370348
PubChem CID:	127338187
Reduced:	O3N5C18H31 (1)
Stoich.:	A3B5C18D31 (1)
Weight, g/mol:	326.195405
ΔH_f, kcal/mol:	-130.67
Dipole, Da:	8.66
IP(EA), eV:	-8.9(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations