Geometry & MOs

Info

ID:	165877
PubChem CID:	74608857
Reduced:	O3N4C30H42 (1)
Stoich.:	A3B4C30D42 (1)
Weight, g/mol:	467.216869
ΔH_f, kcal/mol:	-106.85
Dipole, Da:	5.59
IP(EA), eV:	-8.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-(3-methylbutyl)carbamoyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCN(CC3)CC4NC5CCCCC5C(=O)N4)O

DOS

IR

Vibrations