Geometry & MOs

Info

ID:	343605
PubChem CID:	127266781
Reduced:	BrClNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	319.16444
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	2.9
IP(EA), eV:	-9.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-propylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CCO)NC(=O)C1=C(C=CC=C1Br)Cl

DOS

IR

Vibrations