Geometry & MOs

Info

ID:	193152
PubChem CID:	78349917
Reduced:	NO2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	346.215747
ΔH_f, kcal/mol:	-184.7
Dipole, Da:	6.29
IP(EA), eV:	-10.19(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8,13,18-hexaene

Drug info:

PubChemData

Smile

C(CC(=N)CCC(=O)O)C(CCC(=O)O)N

DOS

IR

Vibrations