Geometry & MOs

Info

ID:	355293
PubChem CID:	127288250
Reduced:	N3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	327.217144
ΔH_f, kcal/mol:	88.65
Dipole, Da:	2.82
IP(EA), eV:	-8.5(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C3=C(C=C4CCCC4=N3)C#N

DOS

IR

Vibrations