Geometry & MOs

Info

ID:	230352
PubChem CID:	87570700
Reduced:	NO5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	201.99522
ΔH_f, kcal/mol:	-195.34
Dipole, Da:	0.95
IP(EA), eV:	-8.92(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dichloroethenyl)-6-methylphenol

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=NOCCCCC2COC(OC2)(C)C(=O)OC)C

DOS

IR

Vibrations