Geometry & MOs

Info

ID:	411649
PubChem CID:	135084481
Reduced:	ClN3H8C12 (1)
Stoich.:	AB3C8D12 (1)
Weight, g/mol:	240.164302
ΔH_f, kcal/mol:	86.08
Dipole, Da:	3.47
IP(EA), eV:	-8.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(but-3-enyl)phosphorylcyclohexane

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2C3=NC=CC=N3)Cl

DOS

IR

Vibrations