Geometry & MOs

Info

ID:	306419
PubChem CID:	125011646
Reduced:	ON3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	400.222289
ΔH_f, kcal/mol:	41.55
Dipole, Da:	4.63
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(4-ethoxy-6-methylpyrimidin-2-yl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COC[C@H](N1CC2=CC3=CC=CC=C3C=C2)C4=CC=NN4

DOS

IR

Vibrations