Geometry & MOs

Info

ID:	283881
PubChem CID:	104015490
Reduced:	SN3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	287.145619
ΔH_f, kcal/mol:	28.95
Dipole, Da:	1.26
IP(EA), eV:	-8.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyridin-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

Drug info:

PubChemData

Smile

CCNC1CCCC2=C1SC(=N2)C3=C(C=C(C=N3)C)C

DOS

IR

Vibrations