Geometry & MOs

Info

ID:	358305
PubChem CID:	127295850
Reduced:	O4N5C19H33 (1)
Stoich.:	A4B5C19D33 (1)
Weight, g/mol:	378.263091
ΔH_f, kcal/mol:	-204.29
Dipole, Da:	5.93
IP(EA), eV:	-9.13(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)NCCC(=O)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations