Geometry & MOs

Info

ID:	269339
PubChem CID:	103617033
Reduced:	S2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	48.19
Dipole, Da:	3.23
IP(EA), eV:	-9.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNCCC2=CSC(=N2)C

DOS

IR

Vibrations