Geometry & MOs

Info

ID:	149722
PubChem CID:	53789397
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	422.404139
ΔH_f, kcal/mol:	-48.45
Dipole, Da:	4.76
IP(EA), eV:	-8.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-icosan-9-yl-9-phosphabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)O)C2=CC3=C(C=C2)C=CN3

DOS

IR

Vibrations