Geometry & MOs

Info

ID:	398779
PubChem CID:	135035383
Reduced:	O2C7H10 (3)
Stoich.:	A2B7C10 (3)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-265.32
Dipole, Da:	5.18
IP(EA), eV:	-9.35(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-propan-2-yl-1,4,9-triazacyclotetradecane-3,10,14-trione

Drug info:

PubChemData

Smile

CCOC(=O)CCCC(=O)[C@@H](C)[C@H]([C@@H](C)C(=O)OC)OCC1=CC=CC=C1

DOS

IR

Vibrations