Geometry & MOs

Info

ID:	427435
PubChem CID:	135158933
Reduced:	OPN5C25H32 (1)
Stoich.:	ABC5D25E32 (1)
Weight, g/mol:	427.237211
ΔH_f, kcal/mol:	30.83
Dipole, Da:	6.17
IP(EA), eV:	-8.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3E,5Z)-6-cyclopropyl-9-methyl-8-azabicyclo[5.3.1]undeca-3,5,7,9-tetraen-4-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)C2=CN3C(C(=C2)C)PC(=CC3=O)C4=NN5C=C(N=C(C5=C4)C)C

DOS

IR

Vibrations