Geometry & MOs

Info

ID:	411622
PubChem CID:	135084454
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	196.040341
ΔH_f, kcal/mol:	-85.94
Dipole, Da:	3.07
IP(EA), eV:	-9.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(phenylhydrazinylidene)propan-2-one

Drug info:

PubChemData

Smile

CCCC(C)N(C1=CC=CC=C1Br)C(=O)OC

DOS

IR

Vibrations