Geometry & MOs

Info

ID:	73081
PubChem CID:	48416957
Reduced:	O2N5H19C22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	350.00145
ΔH_f, kcal/mol:	48.72
Dipole, Da:	5.58
IP(EA), eV:	-8.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-bromo-3,5-dimethoxybenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations