Geometry & MOs

Info

ID:	305462
PubChem CID:	124955684
Reduced:	ClO2N6C14H17 (1)
Stoich.:	AB2C6D14E17 (1)
Weight, g/mol:	336.110151
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	1.91
IP(EA), eV:	-9.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloropyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(C[C@]1(CNC(=O)CN2C=C(C=N2)Cl)O)C3=NC=CC=N3

DOS

IR

Vibrations