Geometry & MOs

Info

ID:	341842
PubChem CID:	127264535
Reduced:	NOSC14H18 (2)
Stoich.:	ABCD14E18 (2)
Weight, g/mol:	166.054241
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	1.26
IP(EA), eV:	-8.43(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(5-fluoro-2-hydroxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

CCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCC)C3=CC=CS3)C1=O)C4=CC=CS4

DOS

IR

Vibrations