Geometry & MOs

Info

ID:	409535
PubChem CID:	135082317
Reduced:	P2O4H30C37 (1)
Stoich.:	A2B4C30D37 (1)
Weight, g/mol:	322.266051
ΔH_f, kcal/mol:	-3.87
Dipole, Da:	0.83
IP(EA), eV:	-8.33(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tricyclo[17.3.1.14,22]tetracosa-1(22),2,4(24),19(23),20-pentaene

Drug info:

PubChemData

Smile

C/C(=C(\C1=COCO1)/C2=C(C=CC3=C2OCO3)P(C4=CC=CC=C4)C5=CC=CC=C5)/P(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations