Geometry & MOs

Info

ID:	267365
PubChem CID:	103582011
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-19.59
Dipole, Da:	3.9
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)C2=NOC(=C2)C

DOS

IR

Vibrations