Geometry & MOs

Info

ID:	384530
PubChem CID:	134977169
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	-31.98
Dipole, Da:	4.6
IP(EA), eV:	-9.55(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dimethylamino)phenyl]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1(OCC2([C@@H]3CCCCC34C2C=C4)C(=O)O1)C

DOS

IR

Vibrations