Geometry & MOs

Info

ID:	444073
PubChem CID:	135261218
Reduced:	F2O2N5C28H29 (1)
Stoich.:	A2B2C5D28E29 (1)
Weight, g/mol:	437.150619
ΔH_f, kcal/mol:	-78.82
Dipole, Da:	4.41
IP(EA), eV:	-8.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[[4-[(3-chlorophenyl)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)N4CCN(CC4)CC5=CC=C(C=C5)F)N)F

DOS

IR

Vibrations