Geometry & MOs

Info

ID:	85666
PubChem CID:	49877907
Reduced:	BrN3O4H14C22 (1)
Stoich.:	AB3C4D14E22 (1)
Weight, g/mol:	406.179361
ΔH_f, kcal/mol:	35.48
Dipole, Da:	11.48
IP(EA), eV:	-9.19(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(/C(=C\C=C\3/C=C(C=CC3=O)Br)/N2)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations