Geometry & MOs

Info

ID:	333165
PubChem CID:	127251713
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	6.77
Dipole, Da:	5.7
IP(EA), eV:	-8.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-2-(4-phenylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)CC(=O)N3CCOC(C3)C4=NC5=NC=NC(=C5C=C4)N

DOS

IR

Vibrations