Geometry & MOs

Info

ID:	234738
PubChem CID:	92303411
Reduced:	BrN6H13C15 (1)
Stoich.:	AB6C13D15 (1)
Weight, g/mol:	340.092003
ΔH_f, kcal/mol:	146.6
Dipole, Da:	8.51
IP(EA), eV:	-9.2(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[(E)-1-cyano-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-1H-pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)/C=C(/C#N)\C2=C(C(=NN2)N)C#N)Br

DOS

IR

Vibrations