Geometry & MOs

Info

ID:	19748
PubChem CID:	571895
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-24.33
Dipole, Da:	4.55
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylidene-4-phenyl-2,4,6-triazatricyclo[5.3.2.02,6]dodecane-3,5-dione

Drug info:

PubChemData

Smile

C=C1CCC2CCC1N3N2C(=O)N(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations