Geometry & MOs

Info

ID:	254237
PubChem CID:	103123625
Reduced:	SN4H12C15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	230.062618
ΔH_f, kcal/mol:	107.15
Dipole, Da:	1.8
IP(EA), eV:	-8.17(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-3-yl)-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NC4=C(S3)C=C(C=C4)N

DOS

IR

Vibrations