Geometry & MOs

Info

ID:	282644
PubChem CID:	103934104
Reduced:	BrSO2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	321.01129
ΔH_f, kcal/mol:	-3.38
Dipole, Da:	6.32
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-methyl-N-[(3-nitrophenyl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NCC2=CC3=C(C(=C2)Br)OCCCO3

DOS

IR

Vibrations