Geometry & MOs

Info

ID:	437717
PubChem CID:	135226882
Reduced:	S3O9C32H52 (1)
Stoich.:	A3B9C32D52 (1)
Weight, g/mol:	180.095043
ΔH_f, kcal/mol:	-411.67
Dipole, Da:	5.47
IP(EA), eV:	-8.89(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-(3-methylbut-1-en-2-yl)phenol

Drug info:

PubChemData

Smile

CCC1(C(CC(SC1OCC)OC(C)C)CCSC2C(OCSCC2(C(C)C)OC(=O)C(=C)C)C(=O)OC)OC(=O)C(=C)C

DOS

IR

Vibrations