Geometry & MOs

Info

ID:	261476
PubChem CID:	103235497
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-109.56
Dipole, Da:	5.07
IP(EA), eV:	-9.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[(2-methylcyclohexyl)amino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCCC1NCC(=CC(=O)O)C

DOS

IR

Vibrations