Geometry & MOs

Info

ID:	253782
PubChem CID:	103120591
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-7.12
Dipole, Da:	7.22
IP(EA), eV:	-8.87(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC2CNCC2N1C(=O)C3=NN(C=C3)C

DOS

IR

Vibrations