Geometry & MOs

Info

ID:	280509
PubChem CID:	103849657
Reduced:	BrON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	287.074678
ΔH_f, kcal/mol:	3.09
Dipole, Da:	3.03
IP(EA), eV:	-8.81(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)Br)OCCC2=CN(N=C2)C

DOS

IR

Vibrations