Geometry & MOs

Info

ID:	312768
PubChem CID:	126608438
Reduced:	O3N5C23H39 (1)
Stoich.:	A3B5C23D39 (1)
Weight, g/mol:	412.200444
ΔH_f, kcal/mol:	-114.63
Dipole, Da:	5.43
IP(EA), eV:	-8.86(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[11-[[hydroxy(methyl)phosphoryl]methyl]-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]methylphosphonic acid

Drug info:

PubChemData

Smile

CC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)N2CCNCCNCCNCC2

DOS

IR

Vibrations