Geometry & MOs

Info

ID:	418442
PubChem CID:	135104786
Reduced:	OSN5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	321.099252
ΔH_f, kcal/mol:	-8.66
Dipole, Da:	3.67
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-methylpyrazol-3-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CCCNC2=NC=CC(=N2)N3CCCC(C3)O)C

DOS

IR

Vibrations