Geometry & MOs

Info

ID:	165488
PubChem CID:	74557109
Reduced:	NSCl2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	13.71
Dipole, Da:	1.21
IP(EA), eV:	-8.99(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-oxo-2-piperidin-1-yl-4aH-pyrido[2,3-d]pyrimidin-5-yl)phenyl] acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)N)SCC=CCl

DOS

IR

Vibrations