Geometry & MOs

Info

ID:	37458
PubChem CID:	8021315
Reduced:	FNO3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	371.189672
ΔH_f, kcal/mol:	-159.84
Dipole, Da:	2.44
IP(EA), eV:	-9.81(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCC1)OC(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations