Geometry & MOs

Info

ID:	423962
PubChem CID:	135120886
Reduced:	NC5H9 (4)
Stoich.:	AB5C9 (4)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-7.61
Dipole, Da:	1.48
IP(EA), eV:	-8.51(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)CN(C)C2C[C@H]3CC(C[C@H]3C2)N(C)C

DOS

IR

Vibrations