Geometry & MOs

Info

ID:	277397
PubChem CID:	103828266
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	43.26
Dipole, Da:	4.19
IP(EA), eV:	-8.31(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-methylsulfanylcyclopentyl)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC(=O)C2=NC3=CC=CC=C3C(=C2)N)C

DOS

IR

Vibrations