Geometry & MOs

Info

ID:	168409
PubChem CID:	74965154
Reduced:	N3O5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	387.274659
ΔH_f, kcal/mol:	-177.33
Dipole, Da:	3.89
IP(EA), eV:	-9.44(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCN(CC1C2C(C(=O)N(C2=O)C)C(N1)(CC3=CC=CC=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations