Geometry & MOs

Info

ID:	417826
PubChem CID:	135102847
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	2.43
IP(EA), eV:	-8.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-[2-(aminomethyl)-1,3-oxazol-4-yl]methanone

Drug info:

PubChemData

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CC(C)OC1=CC=CC(=C1)OCCN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations