Geometry & MOs

Info

ID:	349360
PubChem CID:	127275147
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-15.15
Dipole, Da:	3.1
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(C)C2=NC(=NO2)C3CC3

DOS

IR

Vibrations