Geometry & MOs

Info

ID:	26791
PubChem CID:	798381
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	340.054945
ΔH_f, kcal/mol:	-83.8
Dipole, Da:	4.98
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methylsulfanyl]-8-methyl-1H-[1,2,4]triazino[5,6-b]indole

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations