Geometry & MOs

Info

ID:	196577
PubChem CID:	78848998
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	358.93824
ΔH_f, kcal/mol:	5.2
Dipole, Da:	4.54
IP(EA), eV:	-8.95(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-bromo-5-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCCN(CC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations