Geometry & MOs

Info

ID:	299094
PubChem CID:	117671193
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	329.120449
ΔH_f, kcal/mol:	81.14
Dipole, Da:	4.29
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene

Drug info:

PubChemData

Smile

CCCN(C)CC1=C(NN=C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)C#N

DOS

IR

Vibrations