Geometry & MOs

Info

ID:	356049
PubChem CID:	127291085
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-105.22
Dipole, Da:	3.74
IP(EA), eV:	-8.77(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3CCCOC3

DOS

IR

Vibrations