Geometry & MOs

Info

ID:	297576
PubChem CID:	117622254
Reduced:	FN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	502.19328
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	3.92
IP(EA), eV:	-9.34(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,12-bis(4-ethenoxyphenyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)[C@@]2(CCC(=C2)C3=CC=NN3C)C(=O)OC

DOS

IR

Vibrations