Geometry & MOs

Info

ID:	360641
PubChem CID:	127301286
Reduced:	ClN3O3C15H18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-92.98
Dipole, Da:	3.84
IP(EA), eV:	-9.39(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COCCC1(CO)NCC2=CC(=O)N3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations