Geometry & MOs

Info

ID:	368682
PubChem CID:	127329819
Reduced:	OSN4C12H20 (1)
Stoich.:	ABC4D12E20 (1)
Weight, g/mol:	352.193297
ΔH_f, kcal/mol:	-25.65
Dipole, Da:	7.2
IP(EA), eV:	-9.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)NC2=NN=C(S2)C

DOS

IR

Vibrations