Geometry & MOs

Info

ID:	415875
PubChem CID:	135088877
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-88.53
Dipole, Da:	3.24
IP(EA), eV:	-8.48(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)C2=CC(=CC=C2)N3CC4=CC=CC=C4C3)CO

DOS

IR

Vibrations