Geometry & MOs

Info

ID:	192601
PubChem CID:	78290649
Reduced:	ClN4O4C23H27 (1)
Stoich.:	AB4C4D23E27 (1)
Weight, g/mol:	472.187733
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	5.52
IP(EA), eV:	-9.27(-0.42)
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)-N-butyl-2-(4-chloro-2-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations