Geometry & MOs

Info

ID:	245848
PubChem CID:	103024281
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-33.51
Dipole, Da:	2.11
IP(EA), eV:	-9.11(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)C(=O)CCC2=CC=NN2C

DOS

IR

Vibrations