Geometry & MOs

Info

ID:	12990
PubChem CID:	219733
Reduced:	BrN4H7C10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	261.98541
ΔH_f, kcal/mol:	106.7
Dipole, Da:	4.48
IP(EA), eV:	-9.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-bromophenyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)Br

DOS

IR

Vibrations