Geometry & MOs

Info

ID:	261671
PubChem CID:	103244799
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-56.11
Dipole, Da:	2.79
IP(EA), eV:	-8.12(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-methylcyclohexyl)amino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C/CNCC1=CC=CC=C1Br)/C(=O)O

DOS

IR

Vibrations