Geometry & MOs

Info

ID:	19412
PubChem CID:	563184
Reduced:	NC3H3 (7)
Stoich.:	AB3C3 (7)
Weight, g/mol:	371.185844
ΔH_f, kcal/mol:	181.47
Dipole, Da:	3.92
IP(EA), eV:	-8.64(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpiperidin-4-ylidene)amino]-1H-[1,2,4]triazino[5,6-b]indol-3-amine

Drug info:

PubChemData

Smile

C1CN(CCC1=NNC2=NNC3=C4C=CC=CC4=NC3=N2)CC5=CC=CC=C5

DOS

IR

Vibrations