Geometry & MOs

Info

ID:	358226
PubChem CID:	127295771
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	353.231456
ΔH_f, kcal/mol:	-141.07
Dipole, Da:	4.91
IP(EA), eV:	-8.98(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(1,4-dioxan-2-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NCC3COCCO3

DOS

IR

Vibrations