Geometry & MOs

Info

ID:	135426
PubChem CID:	51870026
Reduced:	NF3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	451.283492
ΔH_f, kcal/mol:	-225.45
Dipole, Da:	4.9
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(adamantane-1-carbonyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C[C@@H]1COC2=CC=CC=C2O1)C(=O)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations