Geometry & MOs

Info

ID:

415022

PubChem CID:

135088002

Reduced:

O6N7C38H53 (1)

Stoich.:

A6B7C38D53 (1)

Weight, g/mol:

387.252192

ΔHf, kcal/mol:

-144.21

Dipole, Da:

5.83

IP(EA), eV:

 -8.71(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)CC3=NC=CN3CCOC)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations