Geometry & MOs

Info

ID:	201412
PubChem CID:	79536538
Reduced:	NOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	-77.32
Dipole, Da:	3.15
IP(EA), eV:	-9.17(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-2-yl)-1-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CCCC1CCC(=O)C(C1)C2CCCN2

DOS

IR

Vibrations