Geometry & MOs

Info

ID:	423390
PubChem CID:	135119413
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	3.36
IP(EA), eV:	-8.74(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=C(NN=C3)C4=CC=C(C=C4)OC)CO

DOS

IR

Vibrations