Geometry & MOs

Info

ID:

416251

PubChem CID:

135089263

Reduced:

N3O3C18H25 (2)

Stoich.:

A3B3C18D25 (2)

Weight, g/mol:

384.125612

ΔHf, kcal/mol:

-253.29

Dipole, Da:

12.43

IP(EA), eV:

 -9.14(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-6-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)CC(C)C)C3=CC=CC=C3

DOS

IR

Vibrations