Geometry & MOs

Info

ID:	337437
PubChem CID:	127257122
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	201.090212
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	4.6
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(2-aminophenyl)methylidene]-3-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CCCC\1=NNC(=O)/C1=C/C2CCCCC2

DOS

IR

Vibrations