Geometry & MOs

Info

ID:

445213

PubChem CID:

135265042

Reduced:

N3O4C26H31 (1)

Stoich.:

A3B4C26D31 (1)

Weight, g/mol:

659.335922

ΔHf, kcal/mol:

-58.29

Dipole, Da:

10.57

IP(EA), eV:

 -8.29(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CCNC(C1=C(/C(=C/2\C=C(C(=CC2=O)O)C(C)C)/ON1)C3=CC4=C(C=C3)C5CCC4N5C)O

DOS

IR

Vibrations