Geometry & MOs

Info

ID:	63072
PubChem CID:	26744198
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	331.213401
ΔH_f, kcal/mol:	-63.8
Dipole, Da:	1.91
IP(EA), eV:	-9.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,5S)-1-[[4-(dimethylamino)phenyl]methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](CN2CC3CCCCC3)O

DOS

IR

Vibrations