Geometry & MOs

Info

ID:

416965

PubChem CID:

135090928

Reduced:

O7N9C40H51 (1)

Stoich.:

A7B9C40D51 (1)

Weight, g/mol:

385.200156

ΔHf, kcal/mol:

-88.3

Dipole, Da:

5.85

IP(EA), eV:

 -8.11(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1,5-dimethylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C4=NC5=NC=NN5C(=C4)C(C)C

DOS

IR

Vibrations