Geometry & MOs

Info

ID:	73335
PubChem CID:	48417452
Reduced:	O3N6H12C14 (1)
Stoich.:	A3B6C12D14 (1)
Weight, g/mol:	286.10659
ΔH_f, kcal/mol:	69.74
Dipole, Da:	9.79
IP(EA), eV:	-9.32(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC2=C(C=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N)[N+](=O)[O-]

DOS

IR

Vibrations