Geometry & MOs

Info

ID:	129710
PubChem CID:	51073614
Reduced:	BrN2O3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	6.86
IP(EA), eV:	-9.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC2=CC(=O)NC(=O)N2)Br

DOS

IR

Vibrations