Geometry & MOs

Info

ID:	340547
PubChem CID:	127262558
Reduced:	ION3H22C24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	340.117155
ΔH_f, kcal/mol:	60.32
Dipole, Da:	6.81
IP(EA), eV:	-8.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1R)-2-azido-1-hydroxyethyl]-5-phenylmethoxy-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)N/C(=C\2/C3=C(C=C(C=C3)I)NC2=O)/C4=CC=CC=C4

DOS

IR

Vibrations