Geometry & MOs

Info

ID:	82061
PubChem CID:	49855544
Reduced:	NO2C24H33 (1)
Stoich.:	AB2C24D33 (1)
Weight, g/mol:	333.230394
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	2.19
IP(EA), eV:	-8.93(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-(3-phenylmethoxypropyl)cyclopentyl]carbamate

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)N(CCO)CC2=CC=CC=C2)CCCOCC3=CC=CC=C3

DOS

IR

Vibrations