Geometry & MOs

Info

ID:	272634
PubChem CID:	103750596
Reduced:	ON2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	347.00695
ΔH_f, kcal/mol:	-76.86
Dipole, Da:	3.54
IP(EA), eV:	-9.57(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-5-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1(CCCCC1)CNC(=O)NC

DOS

IR

Vibrations