Geometry & MOs

Info

ID:	146016
PubChem CID:	53624284
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	4.38
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCCC2CN3C=C(C=N3)C

DOS

IR

Vibrations