Geometry & MOs

Info

ID:	337423
PubChem CID:	127257108
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	19.38
Dipole, Da:	3.73
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(2-methylpropylidene)-3-propyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC(C)/C=C\1/C(=NNC1=O)C2=CC=CC=C2

DOS

IR

Vibrations