Geometry & MOs

Info

ID:	130339
PubChem CID:	51075646
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	336.068097
ΔH_f, kcal/mol:	-85.91
Dipole, Da:	7.88
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylmethyl 6-pyrazol-1-ylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCC2)NC(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations