Geometry & MOs

Info

ID:	165800
PubChem CID:	74599812
Reduced:	O5N6C20H22 (1)
Stoich.:	A5B6C20D22 (1)
Weight, g/mol:	452.20597
ΔH_f, kcal/mol:	-124.11
Dipole, Da:	2.16
IP(EA), eV:	-9.81(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-ethylamino]-2-oxoethyl] 2,5-dimethylbenzoate

Drug info:

PubChemData

Smile

CCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=NC=CN=C3

DOS

IR

Vibrations