Geometry & MOs

Info

ID:	150593
PubChem CID:	53790286
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	577.387957
ΔH_f, kcal/mol:	-33.47
Dipole, Da:	4.75
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)-2-methylphenyl]-N'-[1-[4-(2,2-dimethylpropyl)phenyl]-2-methylheptan-2-yl]-2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-carboximidamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)O)C(=O)C=N1

DOS

IR

Vibrations