Geometry & MOs

Info

ID:	349450
PubChem CID:	127275237
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-74.02
Dipole, Da:	7.48
IP(EA), eV:	-8.59(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C(=O)CN1CCCC1C2=C3C(=CC=C2)OCCO3)C4(CCCCC4)C#N

DOS

IR

Vibrations