Geometry & MOs

Info

ID:	436347
PubChem CID:	135199213
Reduced:	N2O6C27H36 (1)
Stoich.:	A2B6C27D36 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	-240.32
Dipole, Da:	8.09
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1Z)-2-methyl-1-(3-methylpyridin-2-yl)buta-1,3-dienyl]ethanimine

Drug info:

PubChemData

Smile

CCC(C)[C@H](C1=C(C=C(C=C1)C)C)[C@H](C)OC(=O)[C@H](C)NC(=O)C2=NC=CC(=C2OC(=O)C)OC

DOS

IR

Vibrations