Geometry & MOs

Info

ID:	169627
PubChem CID:	75127849
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	410.172083
ΔH_f, kcal/mol:	-97.16
Dipole, Da:	4.16
IP(EA), eV:	-9.62(-0.47)
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)-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(C)C(=O)C2=C(ON=C2C3=CC=CC=C3)C)N

DOS

IR

Vibrations