Geometry & MOs

Info

ID:	73262
PubChem CID:	48417307
Reduced:	O3N5H9C12 (1)
Stoich.:	A3B5C9D12 (1)
Weight, g/mol:	286.10659
ΔH_f, kcal/mol:	51.22
Dipole, Da:	3.66
IP(EA), eV:	-9.58(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3,5-dimethoxy-4-methylbenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N)[N+](=O)[O-]

DOS

IR

Vibrations