Geometry & MOs

Info

ID:	167667
PubChem CID:	74855220
Reduced:	OCl2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	429.27399
ΔH_f, kcal/mol:	-25.44
Dipole, Da:	7.48
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-2-[cyclohexylmethyl(methyl)amino]-N-ethylacetamide

Drug info:

PubChemData

Smile

C1CC2CNNC2C(C1)C(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations