Geometry & MOs

Info

ID:	366839
PubChem CID:	127320427
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	4.09
IP(EA), eV:	-9.67(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-(1,4-oxazepan-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(C(CC1=O)C(=O)N2CCCOCC2)C3=CN=CC=C3

DOS

IR

Vibrations