Geometry & MOs

Info

ID:	407830
PubChem CID:	135080585
Reduced:	O2N3H9C11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	51.55
Dipole, Da:	4.72
IP(EA), eV:	-9.17(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethoxy-2-methoxycyclopenten-1-yl)benzene

Drug info:

PubChemData

Smile

COC1=NC2=C(C=C1)N(C(=C2C#N)C=C)O

DOS

IR

Vibrations