Geometry & MOs

Info

ID:	375157
PubChem CID:	131472703
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	207.060804
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	2.99
IP(EA), eV:	-8.62(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-amino-2-cyanoethyl]-3,5-difluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC2=C1C[C@@H](CC2)N

DOS

IR

Vibrations