Geometry & MOs

Info

ID:	82060
PubChem CID:	49855543
Reduced:	NO2C24H31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	367.251129
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	2.55
IP(EA), eV:	-9.27(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[(1S,2R)-2-(3-phenylmethoxypropyl)cyclopentyl]amino]ethanol

Drug info:

PubChemData

Smile

C=CCC(CCCOCC1=CC=CC=C1)C2N(CCO2)CC3=CC=CC=C3

DOS

IR

Vibrations