Geometry & MOs

Info

ID:	403324
PubChem CID:	135059740
Reduced:	N2H18C21 (1)
Stoich.:	A2B18C21 (1)
Weight, g/mol:	353.118301
ΔH_f, kcal/mol:	103.49
Dipole, Da:	3.11
IP(EA), eV:	-8.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(9-methyl-1-oxo-2H-pyrido[3,4-b]indol-3-yl)-1,3,6,2-dioxazaborocane-4,8-dione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C(C(=NC=C31)C4=CC=CC=C4)C5CC5

DOS

IR

Vibrations