Geometry & MOs

Info

ID:	415215
PubChem CID:	135088207
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	4.42
IP(EA), eV:	-9.28(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

COCCC(=O)N[C@@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations