Geometry & MOs

Info

ID:

173135

PubChem CID:

75602949

Reduced:

O7N9C40H45 (1)

Stoich.:

A7B9C40D45 (1)

Weight, g/mol:

484.253749

ΔHf, kcal/mol:

-165.55

Dipole, Da:

4.83

IP(EA), eV:

 -8.68(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-5,6-difluoro-N-[[5-(2-methoxyethyl)-2,3-dimethylphenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide

Drug info:

PubChemData

Smile

COC(=O)NC(C1CC1)C(=O)N2CCC(C2)C(=O)NC3=NC=C(C=N3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)C(C8CC8)NC(=O)OC

DOS

IR

Vibrations