Geometry & MOs

Info

ID:	386587
PubChem CID:	134982245
Reduced:	O4H20C25 (1)
Stoich.:	A4B20C25 (1)
Weight, g/mol:	330.209599
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	7.42
IP(EA), eV:	-9.66(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis[(1R,5S)-3-tricyclo[3.2.1.02,4]octanyl]cyclopent-3-ene-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(\C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)/C(=O)O

DOS

IR

Vibrations