Geometry & MOs

Info

ID:	73116
PubChem CID:	48417023
Reduced:	ON5H11C15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	319.99089
ΔH_f, kcal/mol:	95.39
Dipole, Da:	4.52
IP(EA), eV:	-9.27(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-bromo-4-methoxybenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations