Geometry & MOs

Info

ID:	411542
PubChem CID:	135084374
Reduced:	FNO4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	224.096793
ΔH_f, kcal/mol:	-223.85
Dipole, Da:	5.84
IP(EA), eV:	-10.29(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S)-1-(4-chlorophenyl)hept-1-en-3-ol

Drug info:

PubChemData

Smile

CC(=CC(=O)C(C(=O)N1C(=O)OCC1(C)C)F)C

DOS

IR

Vibrations