Geometry & MOs

Info

ID:	331451
PubChem CID:	127248858
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	420.227374
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	5.44
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations