Geometry & MOs

Info

ID:	422197
PubChem CID:	135117383
Reduced:	ON5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	307.119988
ΔH_f, kcal/mol:	3.18
Dipole, Da:	4.09
IP(EA), eV:	-8.36(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC=C(C=C4)N5CCN(CC5)C

DOS

IR

Vibrations