Geometry & MOs

Info

ID:	402374
PubChem CID:	135055726
Reduced:	ON2F3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	435.204573
ΔH_f, kcal/mol:	-157.39
Dipole, Da:	5.33
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [(1R,2S)-3-(4-methoxyanilino)-2-methyl-1-naphthalen-1-yl-3-oxopropyl] carbonate

Drug info:

PubChemData

Smile

CC1(CC(=O)NN1C(C2=CC3=CC=CC=C3C=C2)C(F)(F)F)C

DOS

IR

Vibrations