Geometry & MOs

Info

ID:	267367
PubChem CID:	103582015
Reduced:	BrON3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	12.05
Dipole, Da:	2.67
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations