Geometry & MOs

Info

ID:	230345
PubChem CID:	87570690
Reduced:	NO2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-12.58
Dipole, Da:	3.77
IP(EA), eV:	-9.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-methylnon-2-enyl] propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/2\C=CC=C3C2C(=O)NC3=O

DOS

IR

Vibrations