Geometry & MOs

Info

ID:	337420
PubChem CID:	127257105
Reduced:	NO3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-44.54
Dipole, Da:	2.09
IP(EA), eV:	-9.14(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(2-methylbutylidene)-3-phenyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C=C\2/C(=O)C3=C(N2)C=C(C=C3)O

DOS

IR

Vibrations