Geometry & MOs

Info

ID:	67782
PubChem CID:	46507155
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	265.09636
ΔH_f, kcal/mol:	-91.3
Dipole, Da:	3.83
IP(EA), eV:	-9.31(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-methylphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-5-one

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N4C1=NNC4=O

DOS

IR

Vibrations