Geometry & MOs

Info

ID:	349997
PubChem CID:	127276870
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-146.95
Dipole, Da:	6.36
IP(EA), eV:	-9.07(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-propan-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2CCS(=O)(=O)C2

DOS

IR

Vibrations