Geometry & MOs

Info

ID:	221564
PubChem CID:	85279793
Reduced:	N2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	182.049843
ΔH_f, kcal/mol:	55.68
Dipole, Da:	4.21
IP(EA), eV:	-9.06(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)but-2-en-1-ol

Drug info:

PubChemData

Smile

CC12C3CCC3C1C4CCC2N=N4

DOS

IR

Vibrations