Geometry & MOs

Info

ID:	131818
PubChem CID:	51264812
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	320.075012
ΔH_f, kcal/mol:	-88.8
Dipole, Da:	2.33
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)CN1C=NC2=C(C=CC=C2C1=O)C

DOS

IR

Vibrations