Geometry & MOs

Info

ID:	31535
PubChem CID:	855840
Reduced:	SN4H16C18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	341.167417
ΔH_f, kcal/mol:	125.87
Dipole, Da:	3.93
IP(EA), eV:	-8.48(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dimethyl-3-(2-piperidin-1-ylethylsulfanyl)-1H-[1,2,4]triazino[5,6-b]indole

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=NC(=NN3)SCC4=CC=CC=C4)N=C2C(=C1)C

DOS

IR

Vibrations