Geometry & MOs

Info

ID:	220705
PubChem CID:	85230559
Reduced:	FNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	210.071451
ΔH_f, kcal/mol:	-49.23
Dipole, Da:	2.31
IP(EA), eV:	-9.06(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-methylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1CCC2=C(C1)C=CC=C2F

DOS

IR

Vibrations