Geometry & MOs

Info

ID:	216438
PubChem CID:	85086241
Reduced:	BrN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	269.068808
ΔH_f, kcal/mol:	-1.44
Dipole, Da:	6.33
IP(EA), eV:	-9.81(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-4aH-3,1-benzoxazin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=C(C(C=CC2=N1)OC)Br

DOS

IR

Vibrations