Geometry & MOs

Info

ID:	419963
PubChem CID:	135110312
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	14.63
Dipole, Da:	2.24
IP(EA), eV:	-9.48(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations