Geometry & MOs

Info

ID:	189349
PubChem CID:	77843913
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-19.23
Dipole, Da:	5.09
IP(EA), eV:	-9.31(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylbut-2-enyl)-3-(2-propan-2-ylpyrimidine-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C(N=C2C=C1)C)C(=O)N3CCC4C(=NC(=NC4=O)C)CC3

DOS

IR

Vibrations