Geometry & MOs

Info

ID:	332186
PubChem CID:	127250472
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-29.37
Dipole, Da:	4.03
IP(EA), eV:	-8.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-(2,6-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)COC2=CC=CC=C2)C3=CC=CC(=N3)C4=CN=C(C=C4)N

DOS

IR

Vibrations