Geometry & MOs

Info

ID:	414485
PubChem CID:	135087443
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-41.77
Dipole, Da:	4.08
IP(EA), eV:	-8.78(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations