Geometry & MOs

Info

ID:	126784
PubChem CID:	50978463
Reduced:	ON4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	320.127326
ΔH_f, kcal/mol:	-17.49
Dipole, Da:	4.42
IP(EA), eV:	-9.27(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-ethoxy-4-[3-(1H-indazol-6-yl)-1H-imidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(=O)NCC2=NC(=NN2)CCC3=CC=CC=C3

DOS

IR

Vibrations