Geometry & MOs

Info

ID:	397275
PubChem CID:	135029985
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	384.150073
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	2.68
IP(EA), eV:	-8.13(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

4,14,24-triazoniaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)NC2=CC=C(C=C2)OC)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations