Geometry & MOs

Info

ID:	373531
PubChem CID:	131316542
Reduced:	SO3H4N4C5 (1)
Stoich.:	AB3C4D4E5 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	-52.45
Dipole, Da:	5.07
IP(EA), eV:	-9.1(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-hydroxy-3-methylphenyl)-3-cyclopropylpropanenitrile

Drug info:

PubChemData

Smile

C12=C(NC(=O)NC1=O)N(C(=N)S2)O

DOS

IR

Vibrations