Geometry & MOs

Info

ID:	365426
PubChem CID:	127317825
Reduced:	ON4C15H28 (1)
Stoich.:	AB4C15D28 (1)
Weight, g/mol:	282.241962
ΔH_f, kcal/mol:	-51.96
Dipole, Da:	2.34
IP(EA), eV:	-8.61(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-4-yl)-4,7-dimethyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations