Geometry & MOs

Info

ID:	417437
PubChem CID:	135094045
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	2.62
IP(EA), eV:	-9.11(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[[5-(4-methylphenyl)furan-2-yl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCOCCC(=O)N(CCO)CC1=CN=C(N1)C

DOS

IR

Vibrations