Geometry & MOs

Info

ID:	441922
PubChem CID:	135246721
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	-11.62
Dipole, Da:	1.35
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenoxy)-3-[(3Z)-3-methyl-4-(2-methylimidazol-1-yl)buta-1,3-dien-2-yl]pyridine

Drug info:

PubChemData

Smile

COCC1(CC1)C2=CC=C(C=C2)OC3=C(C=CC=N3)C4=C(N=CC=C4)OC

DOS

IR

Vibrations