Geometry & MOs

Info

ID:	206815
PubChem CID:	80304952
Reduced:	SN3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	368.0558
ΔH_f, kcal/mol:	41.46
Dipole, Da:	2.06
IP(EA), eV:	-8.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)aniline

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN(C=C1)CC2=NC=CS2

DOS

IR

Vibrations