Geometry & MOs

Info

ID:

394637

PubChem CID:

135023360

Reduced:

N2O5C32H32 (1)

Stoich.:

A2B5C32D32 (1)

Weight, g/mol:

325.170474

ΔHf, kcal/mol:

-115.88

Dipole, Da:

2.56

IP(EA), eV:

 -8.34(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

13-methyl-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)C3=CC=CC=C3)[C@@H]4C5CCCN5[C@@H]6[C@]4(COC7=CC=CC=C67)C(=O)OC

DOS

IR

Vibrations