Geometry & MOs

Info

ID:	331338
PubChem CID:	127248745
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	390.216809
ΔH_f, kcal/mol:	-71.6
Dipole, Da:	3.48
IP(EA), eV:	-8.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[4-(2-phenylethyl)morpholin-2-yl]-5-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations