Geometry & MOs

Info

ID:	133997
PubChem CID:	51624590
Reduced:	N2C9H22 (1)
Stoich.:	A2B9C22 (1)
Weight, g/mol:	435.260745
ΔH_f, kcal/mol:	-24.32
Dipole, Da:	2.36
IP(EA), eV:	-8.56(2.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4R,7S,8aS)-7-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-1-one

Drug info:

PubChemData

Smile

CCC(CC)[C@H](CN)N(C)C

DOS

IR

Vibrations