Geometry & MOs

Info

ID:	279527
PubChem CID:	103844235
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	81.18
Dipole, Da:	3.44
IP(EA), eV:	-8.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopenten-1-yl)ethyl]-2-nitroaniline

Drug info:

PubChemData

Smile

C1CC=C(C1)CCNC2=NC3=CC=CC=C3C(=C2)C#N

DOS

IR

Vibrations