Geometry & MOs

Info

ID:

192680

PubChem CID:

78301456

Reduced:

O3N4C20H25 (1)

Stoich.:

A3B4C20D25 (1)

Weight, g/mol:

365.181336

ΔHf, kcal/mol:

-63.91

Dipole, Da:

3.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.299735

Charge, e:

 0

Chem-info

IUPAC name:

1-(9H-xanthen-9-ylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

Drug info:

PubChemData

Smile

CCN1C2=NC(=[N+](C2C(=O)N(C1=O)CC)C)C=CC3=CC=C(C=C3)OCC

DOS

IR

Vibrations