Geometry & MOs

Info

ID:	338165
PubChem CID:	127258857
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	324.087685
ΔH_f, kcal/mol:	-113.88
Dipole, Da:	2.81
IP(EA), eV:	-9.6(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-[(E)-2-nitroethenyl]phenyl] N-cyclohexylcarbamate

Drug info:

PubChemData

Smile

CCCCNC(=O)OC1CCC/C=C\CC1

DOS

IR

Vibrations