Geometry & MOs

Info

ID:	423238
PubChem CID:	135119156
Reduced:	N3O3C15H25 (1)
Stoich.:	A3B3C15D25 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-120.9
Dipole, Da:	5.86
IP(EA), eV:	-8.93(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=CN(N=C2C)C)C(=O)O

DOS

IR

Vibrations