Geometry & MOs

Info

ID:	255531
PubChem CID:	103132754
Reduced:	N3C17H31 (1)
Stoich.:	A3B17C31 (1)
Weight, g/mol:	286.043043
ΔH_f, kcal/mol:	-15.1
Dipole, Da:	3.55
IP(EA), eV:	-8.51(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(5-methyloxolan-2-yl)methylsulfanyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(CCC(C(C1)C2=NN(C=C2)C)CNC(C)(C)C)C

DOS

IR

Vibrations