Geometry & MOs

Info

ID:	126746
PubChem CID:	50976669
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	367.175673
ΔH_f, kcal/mol:	-10.33
Dipole, Da:	5.29
IP(EA), eV:	-9.42(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CN(CC1=CC(=NN1)C2CC2)C(=O)[C@@]34CNC[C@@H]3CN(C4)C(=O)C5CC5

DOS

IR

Vibrations