Geometry & MOs

Info

ID:	375252
PubChem CID:	131481082
Reduced:	BrO2N4H5C7 (1)
Stoich.:	AB2C4D5E7 (1)
Weight, g/mol:	205.18305
ΔH_f, kcal/mol:	21.27
Dipole, Da:	2.6
IP(EA), eV:	-9.86(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-tert-butylphenyl)-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

COC(=O)C1=NC2=NC=C(N2N=C1)Br

DOS

IR

Vibrations