Geometry & MOs

Info

ID:	332320
PubChem CID:	127250606
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	15.66
Dipole, Da:	8.27
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(6-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)CN3CCOC(C3)C4=CC=CC(=N4)C5=CC=C(C=C5)C(=O)N)C

DOS

IR

Vibrations