Geometry & MOs

Info

ID:	245755
PubChem CID:	103023829
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-27.19
Dipole, Da:	3.68
IP(EA), eV:	-8.91(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-(3-propan-2-yloxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations