Geometry & MOs

Info

ID:	25755
PubChem CID:	630489
Reduced:	NOC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	3.95
Dipole, Da:	3.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757911
Charge, e:	0

Chem-info

IUPAC name:

9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-16-ol

Drug info:

PubChemData

Smile

C[C-](N(CC1=CC=CC=C1)[C-]2C[CH-][CH-]C2)[O-]

DOS

IR

Vibrations