Geometry & MOs

Info

ID:	389391
PubChem CID:	134992667
Reduced:	BrNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	-62.44
Dipole, Da:	2.49
IP(EA), eV:	-9.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(=O)ON1C(C(C1=O)CC2=CC=CC=C2)CBr

DOS

IR

Vibrations