Geometry & MOs

Info

ID:	345908
PubChem CID:	127270208
Reduced:	OSN4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	365.165188
ΔH_f, kcal/mol:	38.64
Dipole, Da:	4.43
IP(EA), eV:	-8.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=NC=NC(=C23)NCC(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations