Geometry & MOs

Info

ID:	190269
PubChem CID:	77978667
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	420.207388
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	1.78
IP(EA), eV:	-9.05(1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(7-ethoxy-6-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethyl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC(C1=CCC(CC1)C(C)(C)C)C(CO)N

DOS

IR

Vibrations