Geometry & MOs

Info

ID:	269121
PubChem CID:	103614779
Reduced:	BrSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	252.075491
ΔH_f, kcal/mol:	-26.23
Dipole, Da:	3.54
IP(EA), eV:	-8.84(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNCC2=CC(=C(C(=C2)Br)OC)OC

DOS

IR

Vibrations