Geometry & MOs

Info

ID:	73408
PubChem CID:	48417637
Reduced:	BrO3N5H12C17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	386.00145
ΔH_f, kcal/mol:	19.3
Dipole, Da:	6.6
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)N2C(=C(C=N2)C#N)N)NC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations