Geometry & MOs

Info

ID:

423736

PubChem CID:

135120133

Reduced:

O7N8C37H54 (1)

Stoich.:

A7B8C37D54 (1)

Weight, g/mol:

333.184112

ΔHf, kcal/mol:

-236.76

Dipole, Da:

6.68

IP(EA), eV:

 -8.66(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CCC3=C(N(N=C3C)C)C)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations