Geometry & MOs

Info

ID:	375057
PubChem CID:	131465389
Reduced:	ClF3N3H7C9 (1)
Stoich.:	AB3C3D7E9 (1)
Weight, g/mol:	234.092376
ΔH_f, kcal/mol:	-107.79
Dipole, Da:	4.8
IP(EA), eV:	-10.49(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1[C@H](CC#N)N)Cl)C(F)(F)F

DOS

IR

Vibrations