Geometry & MOs

Info

ID:	50482
PubChem CID:	12013023
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-55.25
Dipole, Da:	4.73
IP(EA), eV:	-9.41(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dipropyl-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione

Drug info:

PubChemData

Smile

CCN1C2C=CC(C1=O)C3C=CC2C(=O)N3CC

DOS

IR

Vibrations