Geometry & MOs

Info

ID:

224047

PubChem CID:

85337510

Reduced:

N3O9C25H27 (1)

Stoich.:

A3B9C25D27 (1)

Weight, g/mol:

514.246772

ΔHf, kcal/mol:

-305.66

Dipole, Da:

11.21

IP(EA), eV:

 -9.47(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hexa-2,4-dienoyl-7-[2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=O)C3C(=O)C2(C(=O)C(C1=O)C(=O)N)O)O)C(=O)C(=O)N(C)C

DOS

IR

Vibrations