Geometry & MOs

Info

ID:	354357
PubChem CID:	127286483
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	3.81
IP(EA), eV:	-8.95(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpiperidin-4-yl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations