Geometry & MOs

Info

ID:	420580
PubChem CID:	135114063
Reduced:	ON6C14H14 (1)
Stoich.:	AB6C14D14 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	64.55
Dipole, Da:	5.88
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

CNC(=O)C1=C(N=CC=C1)NCC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations