Geometry & MOs

Info

ID:	197213
PubChem CID:	78938410
Reduced:	ClNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	285.152892
ΔH_f, kcal/mol:	-57.42
Dipole, Da:	3.91
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-fluoro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCC2CCCCC2)Cl)N

DOS

IR

Vibrations