Geometry & MOs

Info

ID:	423544
PubChem CID:	135119703
Reduced:	ON6C16H24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	3.33
Dipole, Da:	4.3
IP(EA), eV:	-8.18(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-2-(3-methoxyphenoxy)ethanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC(=C4C=NN(C4=N3)C)N)O

DOS

IR

Vibrations