Geometry & MOs

Info

ID:	17970
PubChem CID:	530497
Reduced:	O2F3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	378.180665
ΔH_f, kcal/mol:	-247.74
Dipole, Da:	3.79
IP(EA), eV:	-10.08(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)ethyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C=CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations