Geometry & MOs

Info

ID:

417271

PubChem CID:

135091898

Reduced:

N6O7C36H48 (1)

Stoich.:

A6B7C36D48 (1)

Weight, g/mol:

444.216141

ΔHf, kcal/mol:

-274.96

Dipole, Da:

4.59

IP(EA), eV:

 -9.1(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(pyridin-2-ylmethyl)-4-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one

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)C(=O)[C@@H]3CCC(=O)N3)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations