Geometry & MOs

Info

ID:	446136
PubChem CID:	135272623
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	538.141581
ΔH_f, kcal/mol:	-78.45
Dipole, Da:	6.51
IP(EA), eV:	-10.0(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-(4-phosphanylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1(C2C(CCCO2)(CC(C1=O)C#N)C)C

DOS

IR

Vibrations