Geometry & MOs

Info

ID:	377865
PubChem CID:	134223930
Reduced:	ClO2N3H22C35 (1)
Stoich.:	AB2C3D22E35 (1)
Weight, g/mol:	368.8823
ΔH_f, kcal/mol:	148.09
Dipole, Da:	4.07
IP(EA), eV:	-8.89(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(3H-1,3-benzoxazol-2-ylidene)-2,4-dibromocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=C(C=C4)OCl)C5=NC6=CC=CC=C6O5)C7=CC=CC=C7

DOS

IR

Vibrations