Geometry & MOs

Info

ID:	421872
PubChem CID:	135116756
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-216.96
Dipole, Da:	3.96
IP(EA), eV:	-9.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-methoxy-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)C(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations