Geometry & MOs

Info

ID:	409668
PubChem CID:	135082450
Reduced:	PN2C4O4H8 (1)
Stoich.:	AB2C4D4E8 (1)
Weight, g/mol:	324.187801
ΔH_f, kcal/mol:	-160.37
Dipole, Da:	3.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762072
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6Z,8E,10E,12E,14Z,16E,18E)-bicyclo[18.4.1]pentacosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

Drug info:

PubChemData

Smile

COP(=O)(/C(=C/O)/[N+]#N)OC

DOS

IR

Vibrations