Geometry & MOs

Info

ID:	398121
PubChem CID:	135031858
Reduced:	OC19H20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	212.107539
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	3.36
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

cyclopenta-2,4-dien-1-ylidene-[[(1S)-1-phenylethyl]amino]methanolate

Drug info:

PubChemData

Smile

C=CC[C@@]1(CCCCC1=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations