Geometry & MOs

Info

ID:	73200
PubChem CID:	48417189
Reduced:	O3N5H9C12 (1)
Stoich.:	A3B5C9D12 (1)
Weight, g/mol:	323.94135
ΔH_f, kcal/mol:	53.48
Dipole, Da:	2.53
IP(EA), eV:	-9.66(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5-bromo-2-chlorobenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations