Geometry & MOs

Info

ID:	272715
PubChem CID:	103752678
Reduced:	BrON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	332.05243
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	4.0
IP(EA), eV:	-9.31(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[1-(4-methylphenyl)propyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCN2C(=O)C3=C(N=CC=C3)Br

DOS

IR

Vibrations