Geometry & MOs

Info

ID:	1094
PubChem CID:	3778
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	5.03
IP(EA), eV:	-8.57(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C

DOS

IR

Vibrations