Geometry & MOs

Info

ID:	267363
PubChem CID:	103582007
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	318.03678
ΔH_f, kcal/mol:	-96.59
Dipole, Da:	4.47
IP(EA), eV:	-8.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(O1)C(=O)NC2=CC(=C(C(=C2)C)Br)C

DOS

IR

Vibrations