Geometry & MOs

Info

ID:	389922
PubChem CID:	134996020
Reduced:	ClO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	-94.66
Dipole, Da:	2.12
IP(EA), eV:	-9.5(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-nitrodec-4-ene

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@H]([C@H](C1)OCC2=CC=CC=C2)Cl)O

DOS

IR

Vibrations