Geometry & MOs

Info

ID:	271124
PubChem CID:	103644428
Reduced:	NSO6C15H27 (1)
Stoich.:	ABC6D15E27 (1)
Weight, g/mol:	300.96175
ΔH_f, kcal/mol:	-307.51
Dipole, Da:	6.45
IP(EA), eV:	-9.72(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(1-cyanopropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)(CCCS(=O)(=O)C)C(=O)O

DOS

IR

Vibrations