Geometry & MOs

Info

ID:	168413
PubChem CID:	74965411
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-2.76
Dipole, Da:	4.29
IP(EA), eV:	-8.55(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2NC(CC(=O)N2)C3=CN=C(N=C3C)N4CCCC4

DOS

IR

Vibrations