Geometry & MOs

Info

ID:	293317
PubChem CID:	117384211
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	252.082016
ΔH_f, kcal/mol:	30.07
Dipole, Da:	3.27
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-(3-hydroxy-2-methylsulfanylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C2C=CC(=CC2=CN=C1)C3(CC3)N=C=O

DOS

IR

Vibrations