Geometry & MOs

Info

ID:	271602
PubChem CID:	103685486
Reduced:	ClNO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	272.155849
ΔH_f, kcal/mol:	-123.97
Dipole, Da:	1.85
IP(EA), eV:	-9.14(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-4-methoxybutan-1-ol

Drug info:

PubChemData

Smile

COCC(CCO)NCC1=CC(=C(C=C1)O)Cl

DOS

IR

Vibrations