Geometry & MOs

Info

ID:	441466
PubChem CID:	135235064
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	216.131429
ΔH_f, kcal/mol:	-168.57
Dipole, Da:	9.55
IP(EA), eV:	-9.04(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-fluoro-3,5-dimethylphenyl)bicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CC1C(C(OC(C1C)OC2=CC3=C(C=C2)C(=CC(=O)O3)C)C)C

DOS

IR

Vibrations