Geometry & MOs

Info

ID:	73343
PubChem CID:	48417480
Reduced:	O3N6H12C16 (1)
Stoich.:	A3B6C12D16 (1)
Weight, g/mol:	371.92749
ΔH_f, kcal/mol:	-7.93
Dipole, Da:	10.91
IP(EA), eV:	-9.26(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations