Geometry & MOs

Info

ID:	392608
PubChem CID:	135017338
Reduced:	ON3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	31.16
Dipole, Da:	3.59
IP(EA), eV:	-8.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-ethyl-5-formylcyclohex-2-en-1-yl)acetate

Drug info:

PubChemData

Smile

C1C2=C(C3NC4=CC=CC=C4C(=O)N3C2)NC5=CC=CC=C51

DOS

IR

Vibrations