Geometry & MOs

Info

ID:	374494
PubChem CID:	131330507
Reduced:	SN2H6C9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	208.081205
ΔH_f, kcal/mol:	69.23
Dipole, Da:	5.72
IP(EA), eV:	-8.57(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azetidin-2-yl)-2-(difluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(SC2=C1)C#N)N

DOS

IR

Vibrations