Geometry & MOs

Info

ID:	169280
PubChem CID:	75084408
Reduced:	N4O4C15H22 (1)
Stoich.:	A4B4C15D22 (1)
Weight, g/mol:	512.188269
ΔH_f, kcal/mol:	-135.41
Dipole, Da:	3.67
IP(EA), eV:	-9.25(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 10-benzyl-4-ethyl-7-methyl-5-methylimino-9,11-dioxo-4,6,10-triazatricyclo[6.3.0.02,6]undecane-7-carboxylate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCN1CC2C3C(C(=O)N(C3=O)C)C(N2C1=NC)(C)C(=O)OC

DOS

IR

Vibrations