Geometry & MOs

Info

ID:	444051
PubChem CID:	135261173
Reduced:	FO2N5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	433.18017
ΔH_f, kcal/mol:	-68.32
Dipole, Da:	6.59
IP(EA), eV:	-8.49(-0.43)
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]cyclopropyl]benzoate

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CCCC(C4)N(C)C)N)F

DOS

IR

Vibrations