Geometry & MOs

Info

ID:	424951
PubChem CID:	135124557
Reduced:	FNO5H26C29 (1)
Stoich.:	ABC5D26E29 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-120.42
Dipole, Da:	5.09
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate

Drug info:

PubChemData

Smile

CC#CC(CC(=O)O)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CN=C(C=C4)OC5COC5

DOS

IR

Vibrations