Geometry & MOs

Info

ID:	412166
PubChem CID:	135085040
Reduced:	N3O4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	189.9661
ΔH_f, kcal/mol:	6.64
Dipole, Da:	15.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.086077
Charge, e:	-1

Chem-info

IUPAC name:

3,4,5,6-tetrahydro-2H-pyran-6-id-3-ol;yttrium

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CC[N+]3(CC4C=C)CC5=CC=CC=C5[N+](=O)[O-])O

DOS

IR

Vibrations