Geometry & MOs

Info

ID:	372527
PubChem CID:	131299235
Reduced:	BrINH3O3C7 (1)
Stoich.:	ABCD3E3F7 (1)
Weight, g/mol:	334.93434
ΔH_f, kcal/mol:	22.3
Dipole, Da:	1.31
IP(EA), eV:	-10.34(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-amino(cyclobutyl)methyl]-3,6-dibromophenol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C=O)I)[N+](=O)[O-])Br

DOS

IR

Vibrations