Geometry & MOs

Info

ID:	332225
PubChem CID:	127250511
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	17.68
Dipole, Da:	4.95
IP(EA), eV:	-8.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-(6-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=N1)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations