Geometry & MOs

Info

ID:	332339
PubChem CID:	127250625
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-22.02
Dipole, Da:	4.54
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[2-[6-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=C(C=C1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(N=C4)N

DOS

IR

Vibrations