Geometry & MOs

Info

ID:	417388
PubChem CID:	135093098
Reduced:	NO6C16H21 (1)
Stoich.:	AB6C16D21 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-224.89
Dipole, Da:	4.58
IP(EA), eV:	-8.37(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2,2-dimethylpent-4-enyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1CN3C[C@@H](C[C@H]3C(=O)O)O)OCCCO2

DOS

IR

Vibrations