Geometry & MOs

Info

ID:	444056
PubChem CID:	135261180
Reduced:	FO2N5C28H30 (1)
Stoich.:	AB2C5D28E30 (1)
Weight, g/mol:	421.18017
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	2.65
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CN=C2N1)OC3=C(C=C(C=C3)CC(C(=O)N4CCN(CC4)CC5=CC=CC=C5)N)F

DOS

IR

Vibrations