Geometry & MOs

Info

ID:	208780
PubChem CID:	80585143
Reduced:	SN2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	256.19732
ΔH_f, kcal/mol:	12.22
Dipole, Da:	2.22
IP(EA), eV:	-8.05(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-2-yl)-N-(thiolan-2-ylmethyl)propan-2-amine

Drug info:

PubChemData

Smile

CN1CCC2=C1C=CC(=C2)CNCC3CCCS3

DOS

IR

Vibrations