Geometry & MOs

Info

ID:	180280
PubChem CID:	76608563
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-20.93
Dipole, Da:	3.77
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropylmorpholin-4-yl)-3-methyl-6-pyrimidin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1C(NC(CC1=O)C2=NC=NC=C2)N3CCOC(C3)C4=CC5=CC=CC=C5O4

DOS

IR

Vibrations