Geometry & MOs

Info

ID:	173628
PubChem CID:	75664074
Reduced:	O4N7C25H34 (1)
Stoich.:	A4B7C25D34 (1)
Weight, g/mol:	495.259403
ΔH_f, kcal/mol:	-95.89
Dipole, Da:	1.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.958976
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-N-(2-methoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

COCCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)C4=CC=CC=[NH+]4

DOS

IR

Vibrations