Geometry & MOs

Info

ID:	328468
PubChem CID:	126723173
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	417.162332
ΔH_f, kcal/mol:	21.2
Dipole, Da:	2.09
IP(EA), eV:	-8.11(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2E)-3-methyl-2-[(methylideneamino)methylidene]-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pent-3-enamide

Drug info:

PubChemData

Smile

CC(=C(C1=CC=C(C=C1)OC)/C(=C/C=C(/N)\N=C)/C)C

DOS

IR

Vibrations