Geometry & MOs

Info

ID:	372755
PubChem CID:	131304027
Reduced:	BrINH3O3C7 (1)
Stoich.:	ABCD3E3F7 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	17.96
Dipole, Da:	3.35
IP(EA), eV:	-10.39(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(4-methyl-3-nitrophenyl)propan-1-ol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Br)C=O)I)[N+](=O)[O-]

DOS

IR

Vibrations