Geometry & MOs

Info

ID:	386801
PubChem CID:	134982978
Reduced:	NC18H23 (1)
Stoich.:	AB18C23 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	36.16
Dipole, Da:	2.16
IP(EA), eV:	-8.21(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-6-(2-nitrophenyl)hex-5-enyl] acetate

Drug info:

PubChemData

Smile

C1CCCCC2=CC=C(N2C3=CC=CC=C3)CCC1

DOS

IR

Vibrations