Geometry & MOs

Info

ID:	53152
PubChem CID:	14709669
Reduced:	NO2C29H29 (1)
Stoich.:	AB2C29D29 (1)
Weight, g/mol:	491.207214
ΔH_f, kcal/mol:	13.71
Dipole, Da:	5.37
IP(EA), eV:	-8.14(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(diethylamino)-2-phenyl-1-[(E)-2-phenylethenyl]-8b-(trifluoromethyl)-2,2a-dihydro-1H-cyclobuta[c]chromen-3-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)[C@@H]3[C@@H]([C@H]([C@@H]3C(=O)O2)C4=CC=CC=C4)/C=C/C5=CC=CC=C5

DOS

IR

Vibrations