Geometry & MOs

Info

ID:	85622
PubChem CID:	49877723
Reduced:	BrON2H9C12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	386.13789
ΔH_f, kcal/mol:	95.17
Dipole, Da:	13.05
IP(EA), eV:	-8.58(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=N/N2C=C(N=C2N/C=C/3\C=C(C=C(C3=O)Br)Br)C4=CC=CC=C4

DOS

IR

Vibrations