Geometry & MOs

Info

ID:	207084
PubChem CID:	80343196
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	38.08
Dipole, Da:	6.78
IP(EA), eV:	-8.97(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridin-4-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=NC=C1)N2CCN3C=NN=C3C2)O

DOS

IR

Vibrations