Geometry & MOs

Info

ID:	414644
PubChem CID:	135087603
Reduced:	FN3O5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-171.13
Dipole, Da:	3.18
IP(EA), eV:	-9.45(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)N3CCN(C(=O)C3)C4CCCC4)C(=O)O)F

DOS

IR

Vibrations