Geometry & MOs

Info

ID:	211499
PubChem CID:	81044115
Reduced:	ON2C17H34 (1)
Stoich.:	AB2C17D34 (1)
Weight, g/mol:	270.176585
ΔH_f, kcal/mol:	-114.57
Dipole, Da:	4.23
IP(EA), eV:	-8.91(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-3-yl-1-(1,4-thiazepan-4-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(C)CCCC(C)NC(=O)CC(C)C1CCCNC1

DOS

IR

Vibrations