Geometry & MOs

Info

ID:	342209
PubChem CID:	127264986
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	524.02508
ΔH_f, kcal/mol:	65.5
Dipole, Da:	7.62
IP(EA), eV:	-8.17(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-[3-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CC2=NC(=N/C(=C/3\C=CC=CC3=O)/N2)N

DOS

IR

Vibrations