Geometry & MOs

Info

ID:	222214
PubChem CID:	85295240
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	224.060407
ΔH_f, kcal/mol:	-111.03
Dipole, Da:	1.07
IP(EA), eV:	-9.05(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-chloro-2-methylnona-2,4,8-trien-6-ynoate

Drug info:

PubChemData

Smile

C1C(C(C(O1)CNCC2=CC=CC=C2)O)O

DOS

IR

Vibrations