Geometry & MOs

Info

ID:	331419
PubChem CID:	127248826
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	27.22
Dipole, Da:	3.28
IP(EA), eV:	-8.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations