Geometry & MOs

Info

ID:	333125
PubChem CID:	127251673
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	14.75
Dipole, Da:	6.04
IP(EA), eV:	-8.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]-6-methyl-N-(6-methylpyridin-2-yl)pyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CN=C(N=C3)CCOC)NC4=CC=CC=N4

DOS

IR

Vibrations