Geometry & MOs

Info

ID:	54332
PubChem CID:	17033227
Reduced:	OBr2N3H15C21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	66.01
Dipole, Da:	2.56
IP(EA), eV:	-9.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC(=CC=C3)Br)C4=CC=C(C=C4)Br

DOS

IR

Vibrations