Geometry & MOs

Info

ID:	27786
PubChem CID:	823554
Reduced:	N6H8C9 (1)
Stoich.:	A6B8C9 (1)
Weight, g/mol:	215.051718
ΔH_f, kcal/mol:	137.79
Dipole, Da:	0.85
IP(EA), eV:	-8.67(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-9H-pyrimido[4,5-b]indole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC(=NNC3=N2)NN

DOS

IR

Vibrations