Geometry & MOs

Info

ID:	421623
PubChem CID:	135116312
Reduced:	FON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-1.46
Dipole, Da:	3.6
IP(EA), eV:	-9.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=C(NN=C4)C5=CC(=CC=C5)F

DOS

IR

Vibrations