Geometry & MOs

Info

ID:	417825
PubChem CID:	135102842
Reduced:	N6O8C39H56 (1)
Stoich.:	A6B8C39D56 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-344.66
Dipole, Da:	0.78
IP(EA), eV:	-8.44(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(3-propan-2-yloxyphenoxy)ethyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)N[C@H]2CCCNC(=O)COC3=C(C=CC(=C3)CCCNC(=O)[C@H](NC(=O)[C@@H](NC2=O)CC4=CC=CC=C4)C(C)C)OC

DOS

IR

Vibrations