Geometry & MOs

Info

ID:	199167
PubChem CID:	79209219
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-65.4
Dipole, Da:	5.19
IP(EA), eV:	-10.39(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dimethylbutanoylamino)cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC(C=C1)C(=O)O)N2C=NC=N2

DOS

IR

Vibrations