Geometry & MOs

Info

ID:	407554
PubChem CID:	135080301
Reduced:	NO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	212.060407
ΔH_f, kcal/mol:	-88.24
Dipole, Da:	4.84
IP(EA), eV:	-9.67(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methoxy-3-methyl-4-prop-2-enylphenol

Drug info:

PubChemData

Smile

C1COC[C@H]1N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations