Geometry & MOs

Info

ID:	201400
PubChem CID:	79534854
Reduced:	BrClFON2H7C11 (1)
Stoich.:	ABCDE2F7G11 (1)
Weight, g/mol:	274.00654
ΔH_f, kcal/mol:	-23.18
Dipole, Da:	4.84
IP(EA), eV:	-8.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-bromo-5-nitropyridin-2-yl)-N-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)OC2=C(C=C(C=N2)N)Br

DOS

IR

Vibrations