Geometry & MOs

Info

ID:	421442
PubChem CID:	135116019
Reduced:	FON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	333.195346
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	3.66
IP(EA), eV:	-8.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-7,8-dihydro-6H-cyclopenta[g]quinoline

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CN(CCO)CC3=CN=C(N3)C

DOS

IR

Vibrations