Geometry & MOs

Info

ID:	134281
PubChem CID:	51672096
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-157.22
Dipole, Da:	6.78
IP(EA), eV:	-8.28(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations