Geometry & MOs

Info

ID:	202734
PubChem CID:	79717769
Reduced:	BrSN2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	291.03711
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	3.93
IP(EA), eV:	-8.95(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1NC2CCS(=O)(=O)CC2)Br

DOS

IR

Vibrations