Geometry & MOs

Info

ID:	394216
PubChem CID:	135022548
Reduced:	OC3H6 (3)
Stoich.:	AB3C6 (3)
Weight, g/mol:	257.129003
ΔH_f, kcal/mol:	-148.66
Dipole, Da:	1.98
IP(EA), eV:	-10.23(0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1Z)-1-[3-[4-(dimethylamino)phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]propan-2-ylidene]azanium

Drug info:

PubChemData

Smile

CCC[C@H](C[C@@H]([C@H](C=C)O)O)O

DOS

IR

Vibrations