Geometry & MOs

Info

ID:	438261
PubChem CID:	135227989
Reduced:	BrF2O2N5H10C16 (1)
Stoich.:	AB2C2D5E10F16 (1)
Weight, g/mol:	265.02146
ΔH_f, kcal/mol:	22.42
Dipole, Da:	8.82
IP(EA), eV:	-9.29(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-(2,5-dimethylpyrrol-1-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(C2=C(C=CC=N2)F)NC3=C(N=CC(=C3)Br)[N+](=O)[O-])F

DOS

IR

Vibrations