Geometry & MOs

Info

ID:	200150
PubChem CID:	79354799
Reduced:	BrN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	3.3
IP(EA), eV:	-9.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-3-methylphenyl)sulfanyl-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C=C1[N+](=O)[O-])CC2(CCOCC2)CBr

DOS

IR

Vibrations