Geometry & MOs

Info

ID:	175606
PubChem CID:	75927807
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	373.119319
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	2.63
IP(EA), eV:	-8.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloropyridin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)CC4=CC=CC=C4OC5=CN=CC=C5

DOS

IR

Vibrations