Geometry & MOs

Info

ID:	261741
PubChem CID:	103248678
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	3.47
IP(EA), eV:	-9.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C)NCC2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations