Geometry & MOs

Info

ID:

327333

PubChem CID:

126689568

Reduced:

NF4O4H29C31 (1)

Stoich.:

AB4C4D29E31 (1)

Weight, g/mol:

444.204907

ΔHf, kcal/mol:

-305.44

Dipole, Da:

6.66

IP(EA), eV:

 -9.28(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[bis[(4-methoxyphenyl)methyl]amino]-2-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2[C@H]3[C@H]([C@@H]3C(=O)O)CC2=CC(=N1)OCC4=C(C=C5CCOC(C5=C4)C6=CC=CC=C6C(F)(F)F)F

DOS

IR

Vibrations