Geometry & MOs

Info

ID:	211478
PubChem CID:	81044028
Reduced:	ON2C16H30 (1)
Stoich.:	AB2C16D30 (1)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-102.82
Dipole, Da:	5.09
IP(EA), eV:	-8.78(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,4-oxazepan-4-yl)-3-piperidin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)NC1(CCCCC1)C)C2CCCNC2

DOS

IR

Vibrations