Geometry & MOs

Info

ID:	306176
PubChem CID:	125002199
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-130.76
Dipole, Da:	8.8
IP(EA), eV:	-8.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-1,2-oxazol-3-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C[C@H](CO)N2C=C(C=CC2=O)C(=O)O

DOS

IR

Vibrations