Geometry & MOs

Info

ID:	333167
PubChem CID:	127251715
Reduced:	ClO2N6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	20.14
Dipole, Da:	4.14
IP(EA), eV:	-9.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-(5-ethoxy-3-methyl-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2CN(C2)CC3=CC=C(C=C3)Cl)C4=NC5=NC=NC(=C5C=C4)N

DOS

IR

Vibrations