Geometry & MOs

Info

ID:	371840
PubChem CID:	131274484
Reduced:	BrN2O4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	150.059326
ΔH_f, kcal/mol:	-75.88
Dipole, Da:	3.67
IP(EA), eV:	-9.39(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminophenyl)-2-fluoroacetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1[N+](=O)[O-])CC(=O)O)N)Br

DOS

IR

Vibrations