Geometry & MOs

Info

ID:	31416
PubChem CID:	855692
Reduced:	N3C9H17 (2)
Stoich.:	A3B9C17 (2)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	28.9
Dipole, Da:	7.21
IP(EA), eV:	-8.5(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

CC[C@H](C1=NN=NN1CCC(C)C)N2CCN(CC2)C3CCCC3

DOS

IR

Vibrations