Geometry & MOs

Info

ID:	148217
PubChem CID:	53787879
Reduced:	NOC2H3 (4)
Stoich.:	ABC2D3 (4)
Weight, g/mol:	182.049843
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	5.7
IP(EA), eV:	-10.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-en-2-yl-4-chlorophenol

Drug info:

PubChemData

Smile

CON=C(C#N)C(=O)NCC(=O)NCCO

DOS

IR

Vibrations