Geometry & MOs

Info

ID:	171368
PubChem CID:	75367647
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	284.173607
ΔH_f, kcal/mol:	-76.11
Dipole, Da:	1.39
IP(EA), eV:	-8.57(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(methoxymethyl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)O[C@@H]2CN(CCOC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations