Geometry & MOs

Info

ID:	417312
PubChem CID:	135092031
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	350.231791
ΔH_f, kcal/mol:	-15.51
Dipole, Da:	6.52
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)C(=O)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations