Geometry & MOs

Info

ID:	245844
PubChem CID:	103024198
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	306.03678
ΔH_f, kcal/mol:	-92.96
Dipole, Da:	4.66
IP(EA), eV:	-8.5(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(CCN1CCCC(C2=CC=CC=C21)O)OC

DOS

IR

Vibrations