Geometry & MOs

Info

ID:	447525
PubChem CID:	135283590
Reduced:	BrClON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	574.326754
ΔH_f, kcal/mol:	-21.0
Dipole, Da:	0.76
IP(EA), eV:	-9.51(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[6-[[8-cyclopentyl-6-(1-ethoxyethenyl)-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyridin-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C2=CC(=NC=C12)Cl)C3CCCC3)Br

DOS

IR

Vibrations