Geometry & MOs

Info

ID:	415953
PubChem CID:	135088955
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	8.86
Dipole, Da:	1.96
IP(EA), eV:	-8.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CNC2=NC=CC(=C2)C(=O)N3CCCCC3

DOS

IR

Vibrations