Geometry & MOs

Info

ID:	238627
PubChem CID:	92763441
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	170.08777
ΔH_f, kcal/mol:	-111.6
Dipole, Da:	4.75
IP(EA), eV:	-8.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)[C@H]([C@@H](C2=CC=CC=C2)N3CCOCC3)N4CCOCC4

DOS

IR

Vibrations