Geometry & MOs

Info

ID:	372898
PubChem CID:	131306710
Reduced:	BrFNO3H7C10 (1)
Stoich.:	ABCD3E7F10 (1)
Weight, g/mol:	268.02113
ΔH_f, kcal/mol:	-113.53
Dipole, Da:	2.08
IP(EA), eV:	-9.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(5-bromo-3-ethyl-2-hydroxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(O1)C(=CC(=C2)Br)F)N

DOS

IR

Vibrations