Geometry & MOs

Info

ID:	441907
PubChem CID:	135246587
Reduced:	BrN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-50.6
Dipole, Da:	2.07
IP(EA), eV:	-8.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-3-yl (Z)-N-ethenyl-2-(2-methoxyphenyl)but-2-enimidate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C1=NC=C(C=C1)OC2=C(C=CC=N2)Br

DOS

IR

Vibrations