Geometry & MOs

Info

ID:	58293
PubChem CID:	24697532
Reduced:	SN2C8H18 (1)
Stoich.:	AB2C8D18 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	5.54
IP(EA), eV:	-8.51(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]acetic acid

Drug info:

PubChemData

Smile

CCCN(CCC)CC(=S)N

DOS

IR

Vibrations