Geometry & MOs

Info

ID:	283141
PubChem CID:	103960206
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	27.62
Dipole, Da:	6.48
IP(EA), eV:	-9.67(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(4,4-dimethylazepan-1-yl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1N2CCN3C=NN=C3C2)O

DOS

IR

Vibrations