Geometry & MOs

Info

ID:	214190
PubChem CID:	81087298
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-70.21
Dipole, Da:	5.76
IP(EA), eV:	-8.9(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(aminomethyl)pentanoylamino]benzoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCC(CC1)N2CCCC2)CN

DOS

IR

Vibrations