Geometry & MOs

Info

ID:	161257
PubChem CID:	57391175
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	4.82
IP(EA), eV:	-8.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,4E)-1-(3-hydroxy-4-methoxyphenyl)-5-(5-methoxy-1-methylbenzimidazol-2-yl)penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)OC)N=C1/C=C/C(=O)/C=C/C3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations