Geometry & MOs

Info

ID:	349361
PubChem CID:	127275148
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	5.51
IP(EA), eV:	-8.66(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCCOC(C2)C

DOS

IR

Vibrations