Geometry & MOs

Info

ID:	73271
PubChem CID:	48417332
Reduced:	ON5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	289.98032
ΔH_f, kcal/mol:	61.28
Dipole, Da:	4.02
IP(EA), eV:	-8.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-bromobenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations