Geometry & MOs

Info

ID:	359128
PubChem CID:	127297388
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	11.35
Dipole, Da:	3.41
IP(EA), eV:	-8.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohex-2-en-1-yl-2-methyl-1,4-oxazepane

Drug info:

PubChemData

Smile

C1CC(C1)CNC(=O)CN2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations