Geometry & MOs

Info

ID:	224929
PubChem CID:	85730916
Reduced:	H4C13 (2)
Stoich.:	A4B13 (2)
Weight, g/mol:	472.237861
ΔH_f, kcal/mol:	706.93
Dipole, Da:	4.53
IP(EA), eV:	-8.11(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxacyclohexadec-2-en-2-yl diphenyl phosphate

Drug info:

PubChemData

Smile

C1=CC#CC23C#CC=CC#CC(C#C1)(C#CC=CC#C2)C#CC=CC#C3

DOS

IR

Vibrations