Geometry & MOs

Info

ID:	396333
PubChem CID:	135028072
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	345.047435
ΔH_f, kcal/mol:	14.85
Dipole, Da:	3.92
IP(EA), eV:	-9.18(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,11R,12S)-7-amino-13,14-dihydroxy-15-oxa-2,4,6,9-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-3,5,7,9-tetraen-11-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

COC1=CC2=NNN=C2C=C1C(=O)NC3CCCN3CC=C

DOS

IR

Vibrations