Geometry & MOs

Info

ID:	173346
PubChem CID:	75625759
Reduced:	ON2C4H6 (4)
Stoich.:	AB2C4D6 (4)
Weight, g/mol:	392.192051
ΔH_f, kcal/mol:	-84.96
Dipole, Da:	9.43
IP(EA), eV:	-10.09(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-2-(3-cyano-1,2,4-triazol-4-yl)-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CCOC)C(=O)CN2C=NN=C2C#N)N

DOS

IR

Vibrations