Geometry & MOs

Info

ID:	387847
PubChem CID:	134987126
Reduced:	N2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	176.029586
ΔH_f, kcal/mol:	16.2
Dipole, Da:	2.36
IP(EA), eV:	-7.97(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylisothiochromenylium-4-olate

Drug info:

PubChemData

Smile

CC1=C2C=CC=C(C2=NC(=C1C(C)(C)C)C)N

DOS

IR

Vibrations