Geometry & MOs

Info

ID:	206856
PubChem CID:	80310558
Reduced:	N2S3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	9.08
Dipole, Da:	2.02
IP(EA), eV:	-8.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-thiazol-2-ylmethoxy)phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1=NC(=CS1)C)C2CSCCS2

DOS

IR

Vibrations