Geometry & MOs

Info

ID:	272062
PubChem CID:	103722678
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	348.02402
ΔH_f, kcal/mol:	-98.91
Dipole, Da:	2.34
IP(EA), eV:	-9.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(=O)C1=C(C=C(C=C1)Br)C

DOS

IR

Vibrations