Geometry & MOs

Info

ID:	122907
PubChem CID:	50826311
Reduced:	O4N6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	430.115631
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	4.72
IP(EA), eV:	-8.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-(2-morpholin-4-yl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=C3C(=N2)N=CN(C3=O)CC(=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations