Geometry & MOs

Info

ID:	185172
PubChem CID:	77265579
Reduced:	N2F3O3C27H27 (1)
Stoich.:	A2B3C3D27E27 (1)
Weight, g/mol:	141.078979
ΔH_f, kcal/mol:	-228.92
Dipole, Da:	3.98
IP(EA), eV:	-9.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1CCCCC1)(C(=O)N)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations