Geometry & MOs

Info

ID:	317440
PubChem CID:	126637670
Reduced:	ClON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	433.203324
ΔH_f, kcal/mol:	-8.56
Dipole, Da:	4.71
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-propan-2-ylquinolin-2-amine

Drug info:

PubChemData

Smile

CCC1=CN=C2C=C(C=CC2=C1)CCC3CCC(O3)NC4=C(C(=NC=N4)Cl)C(C)C

DOS

IR

Vibrations