Geometry & MOs

Info

ID:	437601
PubChem CID:	135226648
Reduced:	ON4C8H20 (1)
Stoich.:	AB4C8D20 (1)
Weight, g/mol:	507.248169
ΔH_f, kcal/mol:	-33.93
Dipole, Da:	3.01
IP(EA), eV:	-9.22(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propyl 4-[3-oxo-2,4-di(propan-2-yl)-1H-1,2,4,5-tetrazin-6-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)N(C(=O)N(C(C)C)NC)N

DOS

IR

Vibrations