Geometry & MOs

Info

ID:	359103
PubChem CID:	127297348
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	258.140199
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	4.03
IP(EA), eV:	-8.67(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohex-2-en-1-yl-4-methylsulfonyl-1,4-diazepane

Drug info:

PubChemData

Smile

C1CC=CC(C1)N2CCCC(C2)C(=O)N3CCOCC3

DOS

IR

Vibrations