Geometry & MOs

Info

ID:	403262
PubChem CID:	135059437
Reduced:	BrN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	371.95125
ΔH_f, kcal/mol:	-19.83
Dipole, Da:	5.16
IP(EA), eV:	-9.16(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6E)-2-bromo-6-hydroxyiminocyclohexen-1-yl]-(5-chloro-2-nitrophenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N=NN2CC3=CC=C(C=C3)C(=O)OC)Br

DOS

IR

Vibrations