Geometry & MOs

Info

ID:	296540
PubChem CID:	117582098
Reduced:	SN4H12C14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	256.041882
ΔH_f, kcal/mol:	105.08
Dipole, Da:	9.83
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-6-ylmethylamino)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CNC3=NC=C(S3)C#N

DOS

IR

Vibrations