Geometry & MOs

Info

ID:	306753
PubChem CID:	125240901
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-100.05
Dipole, Da:	2.99
IP(EA), eV:	-9.1(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

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COCCNC(=O)[C@@H]1CC[C@H]2[C@H](O1)CCN2CC3=CC=CC=N3

DOS

IR

Vibrations