Geometry & MOs

Info

ID:	349353
PubChem CID:	127275140
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	7.47
IP(EA), eV:	-9.27(-0.54)
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)propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations