Geometry & MOs

Info

ID:	168411
PubChem CID:	74965409
Reduced:	ON7C26H37 (1)
Stoich.:	AB7C26D37 (1)
Weight, g/mol:	386.162187
ΔH_f, kcal/mol:	2.58
Dipole, Da:	5.87
IP(EA), eV:	-8.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)-6-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C(=N2)C)C3CC(=O)NC(N3)N4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations