Geometry & MOs

Info

ID:	190951
PubChem CID:	78083327
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-143.18
Dipole, Da:	6.11
IP(EA), eV:	-9.33(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C)(CCC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3CC(=O)NCN3)O

DOS

IR

Vibrations