Geometry & MOs

Info

ID:	171606
PubChem CID:	75402536
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	333.97755
ΔH_f, kcal/mol:	-133.28
Dipole, Da:	7.8
IP(EA), eV:	-8.7(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)NOC)C

DOS

IR

Vibrations