Geometry & MOs

Info

ID:	261647
PubChem CID:	103243329
Reduced:	N2O2S2C11H12 (1)
Stoich.:	A2B2C2D11E12 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	3.98
IP(EA), eV:	-9.13(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CNCC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations