Geometry & MOs

Info

ID:	420815
PubChem CID:	135114872
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	354.226705
ΔH_f, kcal/mol:	-103.36
Dipole, Da:	5.68
IP(EA), eV:	-8.85(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-11-acetyl-2-methyl-5-propan-2-yl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C1CCC(C1)(CCNC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4)O

DOS

IR

Vibrations