Geometry & MOs

Info

ID:	333937
PubChem CID:	127252489
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	4.41
Dipole, Da:	4.24
IP(EA), eV:	-9.07(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,3aS,7aR)-3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H]2CN([C@H]3[C@@H]2CNCC3)C(=O)C4=CN(N=C4)C

DOS

IR

Vibrations