Geometry & MOs

Info

ID:	375014
PubChem CID:	131465186
Reduced:	OF3N3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	204.07212
ΔH_f, kcal/mol:	-165.23
Dipole, Da:	5.52
IP(EA), eV:	-10.05(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(thiolan-3-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1C(=NC(=NC1=O)C(F)(F)F)C(C)(C)N

DOS

IR

Vibrations