Geometry & MOs

Info

ID:	255524
PubChem CID:	103132704
Reduced:	N3C17H31 (1)
Stoich.:	A3B17C31 (1)
Weight, g/mol:	190.066365
ΔH_f, kcal/mol:	-7.97
Dipole, Da:	3.68
IP(EA), eV:	-8.52(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyloxolan-2-yl)methylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCCC1CCC(C(C1)C2=NN(C=C2)C)CNC(C)C

DOS

IR

Vibrations