Geometry & MOs

Info

ID:	259037
PubChem CID:	103158059
Reduced:	NO3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	347.08848
ΔH_f, kcal/mol:	-153.78
Dipole, Da:	2.78
IP(EA), eV:	-9.42(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-bromonaphthalen-2-yl)amino]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

CC(C)OC(=O)CC(CN)OC

DOS

IR

Vibrations