Geometry & MOs

Info

ID:	343011
PubChem CID:	127266174
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	288.140868
ΔH_f, kcal/mol:	-98.74
Dipole, Da:	4.1
IP(EA), eV:	-8.88(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(4-pyridin-4-yl-1,4-diazepan-1-yl)methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

COC(=O)C1=CCCN(C1)CCC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations