Geometry & MOs

Info

ID:	272713
PubChem CID:	103752676
Reduced:	BrON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	318.03678
ΔH_f, kcal/mol:	-3.31
Dipole, Da:	4.93
IP(EA), eV:	-9.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCNC(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations