Geometry & MOs

Info

ID:	25854
PubChem CID:	631990
Reduced:	B2N2O3C27H38 (1)
Stoich.:	A2B2C3D27E38 (1)
Weight, g/mol:	356.102174
ΔH_f, kcal/mol:	-242.94
Dipole, Da:	4.06
IP(EA), eV:	-8.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dimethyl-3,4,7,9,11,13-hexazahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,5(10),11,13,15,17,19(23),20-nonaene-6,8-dione

Drug info:

PubChemData

Smile

B1(NC(=O)C2=C(O1)C=CC(=C2)C3CN(B(O3)CCCC)C(C)CCC4=CC=CC=C4)CCCC

DOS

IR

Vibrations