Geometry & MOs

Info

ID:	201380
PubChem CID:	79530773
Reduced:	O2N6C9H10 (1)
Stoich.:	A2B6C9D10 (1)
Weight, g/mol:	245.073517
ΔH_f, kcal/mol:	72.8
Dipole, Da:	4.87
IP(EA), eV:	-9.31(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1=CN=C(C=C1[N+](=O)[O-])NCC2=C(NN=C2)N

DOS

IR

Vibrations