Geometry & MOs

Info

ID:	73293
PubChem CID:	48417382
Reduced:	O2N4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	337.96646
ΔH_f, kcal/mol:	55.55
Dipole, Da:	7.06
IP(EA), eV:	-9.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations