Geometry & MOs

Info

ID:

161018

PubChem CID:

57390540

Reduced:

O2N3C33H45 (1)

Stoich.:

A2B3C33D45 (1)

Weight, g/mol:

551.09435

ΔHf, kcal/mol:

-64.22

Dipole, Da:

3.3

IP(EA), eV:

 -8.42(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]propoxy]phenol;bromide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC(=O)OC2CC3(CC(C2C(C3)C4=CC=CC=C4)C5=CC=CC=C5)N6CCCCC6

DOS

IR

Vibrations