Geometry & MOs

Info

ID:	231493
PubChem CID:	87573909
Reduced:	ClN2O8C46H47 (1)
Stoich.:	AB2C8D46E47 (1)
Weight, g/mol:	201.172879
ΔH_f, kcal/mol:	-182.53
Dipole, Da:	2.74
IP(EA), eV:	-8.46(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(dipropylamino)pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)O[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)CC7=CC(=C(C=C7)OC)Cl

DOS

IR

Vibrations