Geometry & MOs

Info

ID:	359130
PubChem CID:	127297390
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	222.209599
ΔH_f, kcal/mol:	-91.21
Dipole, Da:	3.21
IP(EA), eV:	-8.95(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N2CCOCC2)C3CCCC=C3

DOS

IR

Vibrations