Geometry & MOs

Info

ID:	373968
PubChem CID:	131321815
Reduced:	BrON4H5C8 (1)
Stoich.:	ABC4D5E8 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	104.74
Dipole, Da:	10.16
IP(EA), eV:	-9.46(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CONC1=C2C(=NC(=N2)C#N)Br

DOS

IR

Vibrations