Geometry & MOs

Info

ID:	245838
PubChem CID:	103024155
Reduced:	BrON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	15.23
Dipole, Da:	4.64
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)CCC2=CN(N=C2)C)Br

DOS

IR

Vibrations