Geometry & MOs

Info

ID:	173347
PubChem CID:	75625760
Reduced:	ON2C4H6 (4)
Stoich.:	AB2C4D6 (4)
Weight, g/mol:	376.197137
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	7.89
IP(EA), eV:	-10.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-2,4-dioxo-1-propyl-1,3-diazinan-5-yl)-N-butyl-2-(3-cyano-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CCOC)C(=O)CN2C=NN=C2C#N)N

DOS

IR

Vibrations