Geometry & MOs

Info

ID:	349337
PubChem CID:	127275124
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-146.73
Dipole, Da:	2.51
IP(EA), eV:	-8.7(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,4-oxazepan-4-yl)-1-(3-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NCC2COC3=CC=CC=C3O2

DOS

IR

Vibrations