Geometry & MOs

Info

ID:	206138
PubChem CID:	80211008
Reduced:	NOC19H29 (1)
Stoich.:	ABC19D29 (1)
Weight, g/mol:	271.214744
ΔH_f, kcal/mol:	-46.79
Dipole, Da:	3.04
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclopentyl(2-methylpropyl)amino]-2-ethoxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)CCN(C1CCCC1)C(C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations