Geometry & MOs

Info

ID:	31422
PubChem CID:	855700
Reduced:	O2N3H15C19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	80.59
Dipole, Da:	4.88
IP(EA), eV:	-8.06(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CO3)C4=CC=CC=C4

DOS

IR

Vibrations