Geometry & MOs

Info

ID:	265868
PubChem CID:	103555920
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	353.02627
ΔH_f, kcal/mol:	-139.12
Dipole, Da:	4.27
IP(EA), eV:	-10.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-7-[2-(1-methoxycyclobutyl)acetyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=CNC(=C2)C(=O)O

DOS

IR

Vibrations