Geometry & MOs

Info

ID:	15836
PubChem CID:	453316
Reduced:	ON4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	266.116761
ΔH_f, kcal/mol:	59.49
Dipole, Da:	2.86
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-2-prop-2-enyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

CN1C2=C(N=CC=C2)N(C3=C(C1=O)C=CC=N3)CC=C

DOS

IR

Vibrations