Geometry & MOs

Info

ID:	122317
PubChem CID:	50802121
Reduced:	FN3O4H20C24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	429.168856
ΔH_f, kcal/mol:	-110.34
Dipole, Da:	4.42
IP(EA), eV:	-8.58(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2F)OCC3=CC(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations