Geometry & MOs

Info

ID:	261932
PubChem CID:	103259617
Reduced:	NSO3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-73.2
Dipole, Da:	4.23
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNCC2=C(C=CO2)C(=O)O

DOS

IR

Vibrations