Geometry & MOs

Info

ID:	332321
PubChem CID:	127250607
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	-51.84
Dipole, Da:	1.15
IP(EA), eV:	-8.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1CN3CCOC(C3)C4=CC=CC(=N4)C5=CN=CN=C5)OCCO2

DOS

IR

Vibrations