Geometry & MOs

Info

ID:	176909
PubChem CID:	76111476
Reduced:	NOF2H7C8 (3)
Stoich.:	ABC2D7E8 (3)
Weight, g/mol:	408.167179
ΔH_f, kcal/mol:	-375.8
Dipole, Da:	2.56
IP(EA), eV:	-8.9(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2,4-dioxo-3-[(4-oxopiperidin-2-yl)methyl]-4aH-pyrido[2,3-d]pyrimidin-1-ium-1-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CN(C(CN1CC(=O)O)CN2C=CC3=CC=CC=C32)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations