Geometry & MOs

Info

ID:	327550
PubChem CID:	126690309
Reduced:	ClO2N3C8H8 (1)
Stoich.:	AB2C3D8E8 (1)
Weight, g/mol:	325.150036
ΔH_f, kcal/mol:	-3.94
Dipole, Da:	2.79
IP(EA), eV:	-9.08(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1E)-1-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylidenethiophen-2-ylidene]ethyl]butan-1-imine

Drug info:

PubChemData

Smile

CC(=O)OCC1=CNC2=C1N=CN2Cl

DOS

IR

Vibrations