Geometry & MOs

Info

ID:	332241
PubChem CID:	127250527
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	445.175004
ΔH_f, kcal/mol:	-40.53
Dipole, Da:	9.05
IP(EA), eV:	-9.18(-0.66)
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]-(6-methoxy-2H-chromen-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NN=C2C(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CC=C(C=C5)C(=O)N

DOS

IR

Vibrations