Geometry & MOs

Info

ID:	183671
PubChem CID:	77053242
Reduced:	N3O6C12H13 (1)
Stoich.:	A3B6C12D13 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-139.17
Dipole, Da:	6.16
IP(EA), eV:	-10.66(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-methylthiophen-2-yl)prop-2-enoylamino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(C1)NC(=O)C2C=C(C=NC2=O)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations