Geometry & MOs

Info

ID:	171458
PubChem CID:	75379154
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	304.0245
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	6.1
IP(EA), eV:	-9.15(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-3-methylpyridin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)C(=O)C3(CCC3)CC4=CC=CC=C4

DOS

IR

Vibrations