Geometry & MOs

Info

ID:	148516
PubChem CID:	53788179
Reduced:	N2O3H6C8 (1)
Stoich.:	A2B3C6D8 (1)
Weight, g/mol:	340.160935
ΔH_f, kcal/mol:	-0.23
Dipole, Da:	9.87
IP(EA), eV:	-8.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4-methyl-6,7,8,8a-tetrahydro-5H-chromen-7-amine

Drug info:

PubChemData

Smile

C1=CC2=CNC(=C2C=C1[N+](=O)[O-])O

DOS

IR

Vibrations