Geometry & MOs

Info

ID:	366551
PubChem CID:	127320067
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	323.257277
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	3.94
IP(EA), eV:	-9.4(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC(C#N)C(=O)N1CCN(CC1)C(=O)NC2CCCCC2

DOS

IR

Vibrations