Geometry & MOs

Info

ID:	245847
PubChem CID:	103024258
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-2.1
Dipole, Da:	4.43
IP(EA), eV:	-9.42(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)CCC2=CC=NN2C)C

DOS

IR

Vibrations