Geometry & MOs

Info

ID:	331388
PubChem CID:	127248795
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	441.237604
ΔH_f, kcal/mol:	9.5
Dipole, Da:	3.3
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-2-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations