Geometry & MOs

Info

ID:	423300
PubChem CID:	135119251
Reduced:	OS2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	59.24
Dipole, Da:	2.08
IP(EA), eV:	-8.95(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2[C@@H]3CC[C@H]2[C@@](C3)(CC4=CSC=N4)C(=O)NCC5=CSC=C5

DOS

IR

Vibrations