Geometry & MOs

Info

ID:	333173
PubChem CID:	127251721
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	411.146203
ΔH_f, kcal/mol:	-31.08
Dipole, Da:	8.16
IP(EA), eV:	-8.64(-0.97)
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]-3-(3-chlorophenyl)propan-1-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCCC(=O)N2CCOC(C2)C3=NC4=NC=NC(=C4C=C3)N

DOS

IR

Vibrations