Geometry & MOs

Info

ID:	73279
PubChem CID:	48417353
Reduced:	ON4H14C18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	337.96646
ΔH_f, kcal/mol:	79.13
Dipole, Da:	4.59
IP(EA), eV:	-9.27(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations