Geometry & MOs

Info

ID:	53151
PubChem CID:	14709665
Reduced:	ON6C8H10 (1)
Stoich.:	AB6C8D10 (1)
Weight, g/mol:	423.219829
ΔH_f, kcal/mol:	30.01
Dipole, Da:	8.7
IP(EA), eV:	-9.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,2aS,8bR)-6-(diethylamino)-2-phenyl-1-[(E)-2-phenylethenyl]-1,2,2a,8b-tetrahydrocyclobuta[c]chromen-3-one

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=C1)N)NC(=O)C

DOS

IR

Vibrations