Geometry & MOs

Info

ID:	220761
PubChem CID:	85238970
Reduced:	OC4H4 (3)
Stoich.:	AB4C4 (3)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-91.13
Dipole, Da:	4.23
IP(EA), eV:	-9.18(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,8-diazatetracyclo[9.2.1.02,10.04,8]tetradec-3-en-9-one

Drug info:

PubChemData

Smile

CCCC=C1C2=C(C=C(C=C2)O)C(=O)O1

DOS

IR

Vibrations