Geometry & MOs

Info

ID:	444070
PubChem CID:	135261213
Reduced:	ClN2O3C8H11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	433.18017
ΔH_f, kcal/mol:	-133.64
Dipole, Da:	2.91
IP(EA), eV:	-9.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=NC=C1O)CC(C(=O)O)N.Cl

DOS

IR

Vibrations