Geometry & MOs

Info

ID:	444018
PubChem CID:	135261047
Reduced:	ClO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	456.17731
ΔH_f, kcal/mol:	-38.08
Dipole, Da:	3.6
IP(EA), eV:	-8.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-yl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)O)NC2=C3C(=NC=N2)OCCN3CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations