Geometry & MOs

Info

ID:	420600
PubChem CID:	135114256
Reduced:	N2O6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-244.05
Dipole, Da:	1.43
IP(EA), eV:	-9.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-5-yl-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOCC(=O)N[C@@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CC=CO3)C

DOS

IR

Vibrations