Geometry & MOs

Info

ID:	189666
PubChem CID:	77886366
Reduced:	N4O5C25H46 (1)
Stoich.:	A4B5C25D46 (1)
Weight, g/mol:	545.246061
ΔH_f, kcal/mol:	-240.29
Dipole, Da:	4.02
IP(EA), eV:	-9.55(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-ethyl-6-(2-methylsulfanylethyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CCCC(CCC1C=CC(=O)C1CCCCC=CC(=O)O)O)O.C(CCN=C(N)N)CN

DOS

IR

Vibrations