Geometry & MOs

Info

ID:	281065
PubChem CID:	103852709
Reduced:	BrN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	345.07283
ΔH_f, kcal/mol:	-119.77
Dipole, Da:	2.41
IP(EA), eV:	-9.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-methyl-N-(4-phenylbutan-2-yl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC(=C2Br)C

DOS

IR

Vibrations