Geometry & MOs

Info

ID:	319787
PubChem CID:	126657295
Reduced:	IO2N3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	153.078979
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	2.3
IP(EA), eV:	-9.14(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methoxy-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enal

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)N2CCOCC2)I

DOS

IR

Vibrations