Geometry & MOs

Info

ID:	197200
PubChem CID:	78936724
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	277.195426
ΔH_f, kcal/mol:	-27.69
Dipole, Da:	3.54
IP(EA), eV:	-8.71(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1OCC=C(C)C)N

DOS

IR

Vibrations