Geometry & MOs

Info

ID:	172222
PubChem CID:	75481507
Reduced:	N3C8H9 (1)
Stoich.:	A3B8C9 (1)
Weight, g/mol:	243.02588
ΔH_f, kcal/mol:	66.12
Dipole, Da:	2.05
IP(EA), eV:	-8.18(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-bromo-6-tert-butylphenol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CNC=C2

DOS

IR

Vibrations