Geometry & MOs

Info

ID:	347694
PubChem CID:	127272574
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	390.109483
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	7.81
IP(EA), eV:	-9.13(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCCC3)Cl)C4CC4

DOS

IR

Vibrations