Geometry & MOs

Info

ID:	413889
PubChem CID:	135086840
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	-30.42
Dipole, Da:	3.19
IP(EA), eV:	-9.13(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-methylphenyl)-1-pyrazol-1-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)/C(=C\C(=O)N(C)OC)/C1=CC=CC=C1

DOS

IR

Vibrations