Geometry & MOs

Info

ID:	429625
PubChem CID:	135169674
Reduced:	BrO2N5H6C7 (1)
Stoich.:	AB2C5D6E7 (1)
Weight, g/mol:	222.030839
ΔH_f, kcal/mol:	82.5
Dipole, Da:	7.44
IP(EA), eV:	-9.04(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-3-chloropyridin-2-yl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1C(=CC(=C(N1)N2N=CC=N2)Br)[N+](=O)[O-]

DOS

IR

Vibrations