Geometry & MOs

Info

ID:	73413
PubChem CID:	48417646
Reduced:	O2N5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	383.00179
ΔH_f, kcal/mol:	10.75
Dipole, Da:	7.49
IP(EA), eV:	-9.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[6-(4-bromophenoxy)pyridine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations