Geometry & MOs

Info

ID:	177819
PubChem CID:	76235343
Reduced:	O2N3C12H15 (2)
Stoich.:	A2B3C12D15 (2)
Weight, g/mol:	429.27399
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	4.83
IP(EA), eV:	-9.01(-0.49)
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)-N-benzyl-2-(3-methylpiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3C(=O)NCC4=CC=CO4)CC

DOS

IR

Vibrations