Geometry & MOs

Info

ID:	169282
PubChem CID:	75084410
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	436.156969
ΔH_f, kcal/mol:	-110.84
Dipole, Da:	3.8
IP(EA), eV:	-9.25(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-ethyl-4,10-dimethyl-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)CC4=CC=CC=C4)C(N2C1=NC)(C)C(=O)OC

DOS

IR

Vibrations