Geometry & MOs

Info

ID:	261553
PubChem CID:	103240093
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-94.59
Dipole, Da:	7.92
IP(EA), eV:	-10.29(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-cyclohexylethylamino)methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C=C(CNCCC1CCCCC1)C(=O)O

DOS

IR

Vibrations