Geometry & MOs

Info

ID:	353260
PubChem CID:	127284440
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	18.63
Dipole, Da:	4.82
IP(EA), eV:	-9.29(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1C(=O)N3CCN(CC3)C(=O)CN4C=NN=N4

DOS

IR

Vibrations