Geometry & MOs

Info

ID:	43891
PubChem CID:	10321936
Reduced:	ClO3N4H19C25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	458.162187
ΔH_f, kcal/mol:	1.5
Dipole, Da:	2.89
IP(EA), eV:	-9.04(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[7-(3-chloropyridin-2-yl)-2-(ethoxymethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]phenyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(=O)C(C1=NC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)NN1)C(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations