Geometry & MOs

Info

ID:	175607
PubChem CID:	75927808
Reduced:	ClN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	-61.82
Dipole, Da:	4.15
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[4-[(2-pyridin-3-yloxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2CN(C3=CC=CC=C3O2)CC4=CC(=NC=C4)Cl

DOS

IR

Vibrations