Geometry & MOs

Info

ID:	270561
PubChem CID:	103637115
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	1.84
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNCC2=CC3=C(C=C2O)OCO3

DOS

IR

Vibrations