Geometry & MOs

Info

ID:	331440
PubChem CID:	127248847
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	24.28
Dipole, Da:	2.84
IP(EA), eV:	-8.41(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[4-[(3-propan-2-yloxyphenyl)methyl]morpholin-2-yl]-5-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC3=C(C=C4CCCC4=C3)OC)C5=CN=CN=C5

DOS

IR

Vibrations