Geometry & MOs

Info

ID:	303290
PubChem CID:	124489467
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-26.32
Dipole, Da:	3.15
IP(EA), eV:	-8.61(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN[C@H](C)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations