Geometry & MOs

Info

ID:	169628
PubChem CID:	75127850
Reduced:	ClN4O4C19H27 (1)
Stoich.:	AB4C4D19E27 (1)
Weight, g/mol:	415.185569
ΔH_f, kcal/mol:	-170.0
Dipole, Da:	5.85
IP(EA), eV:	-9.15(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(C)C(=O)C(C)OC2=C(C=C(C=C2)Cl)C)N

DOS

IR

Vibrations