Geometry & MOs

Info

ID:	282828
PubChem CID:	103941344
Reduced:	FO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-80.72
Dipole, Da:	3.95
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methylsulfanylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)F)C(=O)NCC2=NC=CN2

DOS

IR

Vibrations