Geometry & MOs

Info

ID:

440957

PubChem CID:

135232448

Reduced:

NO4H21C23 (1)

Stoich.:

AB4C21D23 (1)

Weight, g/mol:

449.183838

ΔHf, kcal/mol:

-109.6

Dipole, Da:

18.36

IP(EA), eV:

 -8.69(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(2-methoxyethoxy)-3,6-dimethyl-17-oxo-14-oxa-10-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4(9),5,7,15,18,20-heptaen-18-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3CCC4C(=C3C2(C)C)C=C5C=C(C(=O)C=C5O4)C(=O)O

DOS

IR

Vibrations