Geometry & MOs

Info

ID:

162934

PubChem CID:

57580924

Reduced:

NO4C27H29 (1)

Stoich.:

AB4C27D29 (1)

Weight, g/mol:

499.160657

ΔHf, kcal/mol:

-74.91

Dipole, Da:

0.82

IP(EA), eV:

 -8.49(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-methoxy-16-[[3-(trifluoromethoxy)phenyl]methoxy]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene

Drug info:

PubChemData

Smile

COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OCC5=CC=CC=C5

DOS

IR

Vibrations