Geometry & MOs

Info

ID:	364264
PubChem CID:	127315313
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-130.31
Dipole, Da:	5.57
IP(EA), eV:	-9.6(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(4-methylazepan-1-yl)-2-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(=O)NC2CCN(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations