Geometry & MOs

Info

ID:	199186
PubChem CID:	79210769
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	0.81
IP(EA), eV:	-8.44(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclopent-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)CNC(=O)C2CC(C=C2)N

DOS

IR

Vibrations