Geometry & MOs

Info

ID:	419025
PubChem CID:	135107361
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	422.177647
ΔH_f, kcal/mol:	-140.87
Dipole, Da:	4.57
IP(EA), eV:	-9.18(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7-[(5-methylfuran-2-yl)methyl]-N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

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CCCCC1=CC=C(C=C1)CN2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations