Geometry & MOs

Info

ID:	122496
PubChem CID:	50809081
Reduced:	ClO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	415.05315
ΔH_f, kcal/mol:	3.06
Dipole, Da:	3.35
IP(EA), eV:	-9.34(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C2CCCN2C(=O)C3=NN(C=C3Cl)C

DOS

IR

Vibrations