Geometry & MOs

Info

ID:	337336
PubChem CID:	127257018
Reduced:	ON4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	483.273321
ΔH_f, kcal/mol:	57.2
Dipole, Da:	3.74
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(cyclopentylcarbamoyl)-4-(2-nitrocyclohexa-2,5-dien-1-yl)nonyl] pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NNNC(=O)C2=CN=CC=C2

DOS

IR

Vibrations