Geometry & MOs

Info

ID:	363141
PubChem CID:	127310174
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-146.78
Dipole, Da:	4.35
IP(EA), eV:	-9.03(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCC1C(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations