Geometry & MOs

Info

ID:	206849
PubChem CID:	80309475
Reduced:	ClOSN2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	-11.35
Dipole, Da:	3.77
IP(EA), eV:	-8.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(1,3-thiazol-2-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)COC2=C(C=C(C=C2)N)Cl

DOS

IR

Vibrations