Geometry & MOs

Info

ID:	261453
PubChem CID:	103234593
Reduced:	N2O2F3C11H21 (1)
Stoich.:	A2B2C3D11E21 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-265.93
Dipole, Da:	4.73
IP(EA), eV:	-8.79(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-ethoxypropylamino)methyl]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCCNCC(C(=O)O)C(F)(F)F

DOS

IR

Vibrations