Geometry & MOs

Info

ID:	347729
PubChem CID:	127272791
Reduced:	ClN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	61.41
Dipole, Da:	6.9
IP(EA), eV:	-8.8(-0.75)
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)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

C1CC2CC1CN2C3=C(C=C(C=N3)C#N)Cl

DOS

IR

Vibrations