Geometry & MOs

Info

ID:	421719
PubChem CID:	135116498
Reduced:	ClNO3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	-121.35
Dipole, Da:	3.28
IP(EA), eV:	-9.58(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(4-methylpentyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2(CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations