Geometry & MOs

Info

ID:	152110
PubChem CID:	56310970
Reduced:	FN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	345.104418
ΔH_f, kcal/mol:	-139.87
Dipole, Da:	0.92
IP(EA), eV:	-8.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[(4-fluoro-N-propan-2-ylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)NC1=CC=CC=C1C(=O)OC)C2=CC=C(C=C2)F

DOS

IR

Vibrations