Geometry & MOs

Info

ID:	372545
PubChem CID:	131299549
Reduced:	IN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	286.03169
ΔH_f, kcal/mol:	13.0
Dipole, Da:	5.66
IP(EA), eV:	-9.76(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-bromo-5-nitrophenyl)-2,2-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C1=C(C=CC(=C1)[N+](=O)[O-])I)N

DOS

IR

Vibrations