Geometry & MOs

Info

ID:	122495
PubChem CID:	50809080
Reduced:	ClFN2O2C17H18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	308.104003
ΔH_f, kcal/mol:	-82.72
Dipole, Da:	4.19
IP(EA), eV:	-9.55(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2CCCN2C(=O)CC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations