Geometry & MOs

Info

ID:	412941
PubChem CID:	135085878
Reduced:	NOC3H3 (3)
Stoich.:	ABC3D3 (3)
Weight, g/mol:	196.065493
ΔH_f, kcal/mol:	12.52
Dipole, Da:	5.52
IP(EA), eV:	-9.85(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

C/C=N/NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations