Geometry & MOs

Info

ID:	199639
PubChem CID:	79275075
Reduced:	ClN4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	76.09
Dipole, Da:	5.01
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-aminocyclopentanecarbonyl)-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=NN(C2=C1N=C(N2CCC3=CC=CC=C3)CCCl)C

DOS

IR

Vibrations