Geometry & MOs

Info

ID:	378029
PubChem CID:	134224097
Reduced:	O3N5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	169.073893
ΔH_f, kcal/mol:	38.05
Dipole, Da:	8.51
IP(EA), eV:	-8.49(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3Z)-3-(hydroxymethylidene)-4-methoxy-5-(methylideneamino)pent-4-en-2-one

Drug info:

PubChemData

Smile

CN(CCO)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations