Geometry & MOs

Info

ID:	288242
PubChem CID:	104314032
Reduced:	BrSN4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	284.08881
ΔH_f, kcal/mol:	89.04
Dipole, Da:	3.32
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-N-propylpentan-1-amine

Drug info:

PubChemData

Smile

CCNC(CC1=CN2C=CSC2=N1)C3=C(C=CC=N3)Br

DOS

IR

Vibrations