Geometry & MOs

Info

ID:	294564
PubChem CID:	117470455
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-141.37
Dipole, Da:	4.46
IP(EA), eV:	-9.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC(=O)N(CC1=O)C2=CC=C(C=C2)CC(C(=O)O)N

DOS

IR

Vibrations