Geometry & MOs

Info

ID:	275371
PubChem CID:	103815528
Reduced:	ON2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	234.140199
ΔH_f, kcal/mol:	-78.62
Dipole, Da:	2.42
IP(EA), eV:	-8.7(2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propylsulfonylethyl)-1,4-diazepane

Drug info:

PubChemData

Smile

CC1CN(CCC1N)CCCCCCO

DOS

IR

Vibrations