Geometry & MOs

Info

ID:	423831
PubChem CID:	135120398
Reduced:	ClN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-90.56
Dipole, Da:	5.57
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(2-methylpyrazol-3-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3)Cl

DOS

IR

Vibrations