Geometry & MOs

Info

ID:	353120
PubChem CID:	127284300
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	1.2
IP(EA), eV:	-8.93(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpiperidin-2-yl)-(1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1CCN(C1=O)CC2=CC=CC=C2)N3CCCCC3

DOS

IR

Vibrations