Geometry & MOs

Info

ID:	176549
PubChem CID:	76065976
Reduced:	N6O9C41H62 (1)
Stoich.:	A6B9C41D62 (1)
Weight, g/mol:	458.27941
ΔH_f, kcal/mol:	-380.2
Dipole, Da:	4.34
IP(EA), eV:	-8.81(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[benzyl(pyridin-2-yl)amino]butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N(C(CC1=CC=CC=C1)C(C(CC2=CC=CC=C2)N(C(=O)C(C(C)C)N)C(=O)OCCN3CCOCC3)O)C(=O)OCCN4CCOCC4)N

DOS

IR

Vibrations