Geometry & MOs

Info

ID:

433924

PubChem CID:

135174071

Reduced:

ClO3N7C45H46 (1)

Stoich.:

AB3C7D45E46 (1)

Weight, g/mol:

431.08445

ΔHf, kcal/mol:

80.41

Dipole, Da:

3.48

IP(EA), eV:

 -8.19(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-(3-bromo-2-methylphenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-2-oxoethyl]piperidine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=C(C(=CC=C2)NC3=NC=CC4=CC(=CN=C43)CN5CCCC5)C)COC6=C(C=C(C(=C6)OCC7=CC(=CN=C7)N=O)CN8CCCC8)Cl

DOS

IR

Vibrations