Geometry & MOs

Info

ID:	355638
PubChem CID:	127289396
Reduced:	ON7C20H25 (1)
Stoich.:	AB7C20D25 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	56.72
Dipole, Da:	4.01
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4C)C

DOS

IR

Vibrations