Geometry & MOs

Info

ID:	42988
PubChem CID:	10317594
Reduced:	NO2C25H33 (1)
Stoich.:	AB2C25D33 (1)
Weight, g/mol:	379.251129
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	3.4
IP(EA), eV:	-8.74(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)NCCCC1=C2CC(OC2=CC=C1)CCCCC3=CC=CC=C3

DOS

IR

Vibrations