Geometry & MOs

Info

ID:	29397
PubChem CID:	833520
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	294.00039
ΔH_f, kcal/mol:	-34.76
Dipole, Da:	6.26
IP(EA), eV:	-9.24(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)C(=O)N2C=CC(=N2)C

DOS

IR

Vibrations