Geometry & MOs

Info

ID:	261739
PubChem CID:	103248482
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	284.173607
ΔH_f, kcal/mol:	-20.62
Dipole, Da:	8.23
IP(EA), eV:	-9.07(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-methoxycyclopentyl)amino]acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)NC/C=C/C(=O)O

DOS

IR

Vibrations