Geometry & MOs

Info

ID:	444062
PubChem CID:	135261193
Reduced:	FO2N4H27C28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-25.03
Dipole, Da:	4.99
IP(EA), eV:	-8.53(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[[4-[(3-methylphenyl)methyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-yl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CCC(=CC4)C5=CC=CC=C5)N)F

DOS

IR

Vibrations