Geometry & MOs

Info

ID:	226492
PubChem CID:	87457551
Reduced:	SN2O4F5C13H21 (1)
Stoich.:	AB2C4D5E13F21 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	-420.61
Dipole, Da:	19.36
IP(EA), eV:	-9.74(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-amino-6-hydroxyphenyl)phenyl]acetyl cyanide

Drug info:

PubChemData

Smile

CCCCN1C=C[N+](=C1)C.C(CC(C(F)(F)F)(F)F)COS(=O)(=O)[O-]

DOS

IR

Vibrations