Geometry & MOs

Info

ID:	419895
PubChem CID:	135109628
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	321.099252
ΔH_f, kcal/mol:	-120.33
Dipole, Da:	6.19
IP(EA), eV:	-8.55(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCC2CN(CCO2)C(=O)C)C(=O)N

DOS

IR

Vibrations